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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Azoles (11)
Quinolines and derivatives (6)
Piperidines (4)
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1 – 12 of 12 results
1

Dihydroergotamine methanesulfonate

CAS: 6190-39-2 Molecular Formula: C34H41N5O8S Molecular Weight (g/mol): 679.79 MDL Number: MFCD00058615 InChI Key: ADYPXRFPBQGGAH-UMYZUSPBSA-N Synonym: dihydroergotamine mesylate,dihydroergotamine methanesulfonate salt,dihydroergotoxine,prestwick_746,dihydroergotamine methanesulfonate salt, powder,dihydroergotamine mesilate, european pharmacopoeia ep reference standard,dihydroergotamine for peak identification, european pharmacopoeia ep reference standard,dihydroergotamine mesylate, united states pharmacopeia usp reference standard,4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid,6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8h-oxazolo 3,2-a pyrrolo 2,1-c pyrazin-2-yl-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo 4,3-fg quinoline-9-carboxamide methanesulfonate PubChem CID: 6420006 IUPAC Name: (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid SMILES: CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O

PubChem CID 6420006
CAS 6190-39-2
Molecular Weight (g/mol) 679.79
MDL Number MFCD00058615
SMILES CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O
Synonym dihydroergotamine mesylate,dihydroergotamine methanesulfonate salt,dihydroergotoxine,prestwick_746,dihydroergotamine methanesulfonate salt, powder,dihydroergotamine mesilate, european pharmacopoeia ep reference standard,dihydroergotamine for peak identification, european pharmacopoeia ep reference standard,dihydroergotamine mesylate, united states pharmacopeia usp reference standard,4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid,6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8h-oxazolo 3,2-a pyrrolo 2,1-c pyrazin-2-yl-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo 4,3-fg quinoline-9-carboxamide methanesulfonate
IUPAC Name (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid
InChI Key ADYPXRFPBQGGAH-UMYZUSPBSA-N
Molecular Formula C34H41N5O8S
2

Dihydroergocristine methanesulfonate, Thermo Scientific Chemicals

CAS: 24730-10-7 Molecular Formula: C36H45N5O8S Molecular Weight (g/mol): 707.843 MDL Number: MFCD00153792 InChI Key: SPXACGZWWVIDGR-SPZWACKZSA-N Synonym: dihydroergocristine mesylate,dihydroergocristinmesilat,unii-ds7cl18uam,dihydroergocristine mesilate,9,10-dihydroergocristine methanesulfonate,ds7cl18uam,dihydroergocristine methanesulfonate,dihydroergocristine methanesulfonate salt,5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate,diertine tn PubChem CID: 444034 ChEBI: CHEBI:31490 SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O

PubChem CID 444034
CAS 24730-10-7
Molecular Weight (g/mol) 707.843
ChEBI CHEBI:31490
MDL Number MFCD00153792
SMILES CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
Synonym dihydroergocristine mesylate,dihydroergocristinmesilat,unii-ds7cl18uam,dihydroergocristine mesilate,9,10-dihydroergocristine methanesulfonate,ds7cl18uam,dihydroergocristine methanesulfonate,dihydroergocristine methanesulfonate salt,5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate,diertine tn
InChI Key SPXACGZWWVIDGR-SPZWACKZSA-N
Molecular Formula C36H45N5O8S
3

1-n-Butyl-3-methylimidazolium methanesulfonate, 99%

CAS: 342789-81-5 Molecular Formula: C9H18N2O3S Molecular Weight (g/mol): 234.314 MDL Number: MFCD06798173 InChI Key: PUHVBRXUKOGSBC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium methanesulfonate,1-butyl-3-methylimidazolium mesylate,acmc-20aowi,c4mim mesylate,basionics™ st 78,dsstox_cid_27888,dsstox_rid_82641,dsstox_gsid_47912,1-butyl-3-methylimidazolium methylsulfonate,1-n-butyl-3-methylimidazolium methanesulfonate PubChem CID: 11492381 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;methanesulfonate SMILES: CCCCN1C=C[N+](=C1)C.CS(=O)(=O)[O-]

PubChem CID 11492381
CAS 342789-81-5
Molecular Weight (g/mol) 234.314
MDL Number MFCD06798173
SMILES CCCCN1C=C[N+](=C1)C.CS(=O)(=O)[O-]
Synonym 1-butyl-3-methylimidazolium methanesulfonate,1-butyl-3-methylimidazolium mesylate,acmc-20aowi,c4mim mesylate,basionics™ st 78,dsstox_cid_27888,dsstox_rid_82641,dsstox_gsid_47912,1-butyl-3-methylimidazolium methylsulfonate,1-n-butyl-3-methylimidazolium methanesulfonate
IUPAC Name 1-butyl-3-methylimidazol-3-ium;methanesulfonate
InChI Key PUHVBRXUKOGSBC-UHFFFAOYSA-M
Molecular Formula C9H18N2O3S
4

Tariquidar methanesulfonate, hydrate, MedChemExpress

MedChemExpress Tariquidar methanesulfonate, hydrate (XR9576 methanesulfonate, hydrate) is a potent and specific inhibitor of P-glycoprotein (P-gp) with a Kd of 5.1 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 892.99
Color Yellow
Physical Form Solid
Chemical Name or Material Tariquidar methanesulfonate, hydrate
Grade Research
SMILES O=C(C1=CC2=CC=CC=C2N=C1)NC3=CC(OC)=C(OC)C=C3C(NC4=CC=C(CCN5CC6=C(C=C(OC)C(OC)=C6)CC5)C=C4)=O.CS(=O)(O)=O.CS(=O)(O)=O.O.O.O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.38%
CAS 625375-83-9
Solubility Information DMSO : ≥ 296 mg/mL (331.47 mM) ∣H2O : 5 mg/mL (5.60 mM; Need ultrasonic)
Synonym XR9576 methanesulfonate, hydrate
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C40H52N4O15S2
Formula Weight 892.99
5

Thermo Scientific Chemicals Imatinib mesylate, 98%

CAS: 220127-57-1 Molecular Formula: C30H35N7O4S Molecular Weight (g/mol): 589.72 MDL Number: MFCD04307699 InChI Key: YLMAHDNUQAMNNX-UHFFFAOYSA-N Synonym: imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt PubChem CID: 123596 ChEBI: CHEBI:31690 IUPAC Name: methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide SMILES: CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1

PubChem CID 123596
CAS 220127-57-1
Molecular Weight (g/mol) 589.72
ChEBI CHEBI:31690
MDL Number MFCD04307699
SMILES CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1
Synonym imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt
IUPAC Name methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
InChI Key YLMAHDNUQAMNNX-UHFFFAOYSA-N
Molecular Formula C30H35N7O4S
7

Pergolide mesylate, MedChemExpress

MedChemExpress Pergolide mesylate (Pergolide methanesulfonate), an Ergoline derivative, is a potent and orally active dopamine D1 and D2 receptors agonist. Pergolide mesylate can be used for Parkinson's disease and hyperprolactinaemia research.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 410.59
Color White
Physical Form Solid
Chemical Name or Material Pergolide mesylate
Grade Research
SMILES [H][C@@]1(N(CCC)C[C@H](CSC)C[C@@]12[H])CC3=CNC4=CC=CC2=C43.CS(=O)(O)=O
For Use With (Application) Neuroscience-Neurodegeneration
Percent Purity 99.45%
CAS 66104-23-2
Solubility Information DMSO : ≥ 25 mg/mL (60.89 mM)
Health Hazard 1 H300
Synonym Pergolide methanesulfonate LY127809
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C20H30N2O3S2
Formula Weight 410.59
8

Ro 31-8220 mesylate, MedChemExpress

MedChemExpress Ro 31-8220 mesylate is a potent PKC inhibitor, with IC50s of 5, 24, 14, 27, 24 and 23 nM for PKCα, PKCβI, PKCβII, PKCγ, PKCε and rat brain PKC, respectively. Ro 31-8220 also significantly inhibits MAPKAP-K1b, MSK1, S6K1 and GSK3β (IC50s, 3, 8, 15, and 38 nM, respectively), with no effect on MKK3, MKK4, MKK6 and MKK7.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 553.65
Color Orange
Physical Form Solid
Chemical Name or Material Ro 31-8220 mesylate
Grade Research
SMILES NC(SCCCN1C=C(C2=C(C3=CN(C)C4=C3C=CC=C4)C(NC2=O)=O)C5=C1C=CC=C5)=N.CS(=O)(O)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.0%
CAS 138489-18-6
Solubility Information DMSO : 35.71 mg/mL (64.50 mM; Need ultrasonic) ∣H2O : < 0.1 mg/mL (insoluble)
Synonym Ro 31-8220 methanesulfonate Bisindolylmaleimide IX mesylate
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C26H27N5O5S2
Formula Weight 553.65
9

Dabigatran etexilate mesylate, MedChemExpress

MedChemExpress Dabigatran etexilate mesylate (BIBR 1048MS) is an orally active prodrug of Dabigatran (a direct inhibitor of thrombin). Dabigatran etexilate mesylate has anticoagulant effects and is used for the prophylaxis of venousthromboembolism and stroke due to atrial fibrillation.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 723.84
Color Off-White
Physical Form Solid
Chemical Name or Material Dabigatran etexilate mesylate
Grade Research
SMILES O=C(N(C1=NC=CC=C1)CCC(OCC)=O)C2=CC=C3C(N=C(N3C)CNC4=CC=C(C(NC(OCCCCCC)=O)=N)C=C4)=C2.CS(=O)(O)=O
For Use With (Application) COVID-19-immunoregulation
Percent Purity 95.0%
CAS 872728-81-9
Solubility Information DMSO : 50 mg/mL (69.08 mM; Need ultrasonic)
Synonym BIBR 1048MS Dabigatran etexilate methanesulfonate
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C35H45N7O8S
Formula Weight 723.84
10

4-Tetrahydropyranyl methanesulfonate, 95%

CAS: 134419-59-3 Molecular Formula: C6H12O4S Molecular Weight (g/mol): 180.218 MDL Number: MFCD11505063 InChI Key: GSEZHCLWHDZJAB-UHFFFAOYSA-N Synonym: tetrahydro-2h-pyran-4-yl methanesulfonate,2h-pyran-4-ol, tetrahydro-, methanesulfonate,acmc-20mvcv,4-oxanyl methanesulfonate,tetrahydropyran-4-ol methane sulfonate,tetrahydro-2h-pyran-4-ol methanesulfonate,tetrahydro-2h-pyran-4-yl methanesulphonate,methansulfonic acid tetrahydropyran-4-yl ester,methanesulfonic acid tetrahydropyran-4-yl ester PubChem CID: 11344352 IUPAC Name: oxan-4-yl methanesulfonate SMILES: CS(=O)(=O)OC1CCOCC1

PubChem CID 11344352
CAS 134419-59-3
Molecular Weight (g/mol) 180.218
MDL Number MFCD11505063
SMILES CS(=O)(=O)OC1CCOCC1
Synonym tetrahydro-2h-pyran-4-yl methanesulfonate,2h-pyran-4-ol, tetrahydro-, methanesulfonate,acmc-20mvcv,4-oxanyl methanesulfonate,tetrahydropyran-4-ol methane sulfonate,tetrahydro-2h-pyran-4-ol methanesulfonate,tetrahydro-2h-pyran-4-yl methanesulphonate,methansulfonic acid tetrahydropyran-4-yl ester,methanesulfonic acid tetrahydropyran-4-yl ester
IUPAC Name oxan-4-yl methanesulfonate
InChI Key GSEZHCLWHDZJAB-UHFFFAOYSA-N
Molecular Formula C6H12O4S
11

1,2,3-Trimethylimidazolium methyl sulfate, 95%, Thermo Scientific™

CAS: 65086-12-6 Molecular Formula: C7H14N2O4S Molecular Weight (g/mol): 222.259 MDL Number: MFCD03788934 InChI Key: OUAUEIYYLHUEPK-UHFFFAOYSA-M Synonym: 1,2,3-trimethylimidazolium methyl sulfate,basionic tm st 99,1,2,3-trimethylimidazol-1-ium methyl sulfate 1-,basionics™ st 99,1,2,3-trimethylimidazolium methanesulfonate,1,2,3-trimethylimidazolium methyl sulfate, basf quality PubChem CID: 11579446 IUPAC Name: methyl sulfate;1,2,3-trimethylimidazol-1-ium SMILES: CC1=[N+](C=CN1C)C.COS(=O)(=O)[O-]

PubChem CID 11579446
CAS 65086-12-6
Molecular Weight (g/mol) 222.259
MDL Number MFCD03788934
SMILES CC1=[N+](C=CN1C)C.COS(=O)(=O)[O-]
Synonym 1,2,3-trimethylimidazolium methyl sulfate,basionic tm st 99,1,2,3-trimethylimidazol-1-ium methyl sulfate 1-,basionics™ st 99,1,2,3-trimethylimidazolium methanesulfonate,1,2,3-trimethylimidazolium methyl sulfate, basf quality
IUPAC Name methyl sulfate;1,2,3-trimethylimidazol-1-ium
InChI Key OUAUEIYYLHUEPK-UHFFFAOYSA-M
Molecular Formula C7H14N2O4S
12

Dihydroergotamine mesylate, Tocris Bioscience™
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