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Azaspirodecane derivatives

Organic heterocyclic compounds that are derived from azaspirodecane; azaspirodecane consists of a 10-member bicycle with nine carbon atoms, one nitrogen atom, and seventeen hydrogen atoms with the formula: C9H17N.

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1

Cevimeline N-Oxide, TRC

CAS: 469890-14-0 Molecular Formula: C10 H17 N O2 S Molecular Weight (g/mol): 215.31 Synonym: (2'R,3R)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1-Oxide IUPAC Name: (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolane-5,3'-1-azoniabicyclo[2.2.2]octane] SMILES: C[C@H]1O[C@]2(CS1)C[N+]3([O-])CCC2CC3

CAS 469890-14-0
Molecular Weight (g/mol) 215.31
SMILES C[C@H]1O[C@]2(CS1)C[N+]3([O-])CCC2CC3
Synonym (2'R,3R)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1-Oxide
IUPAC Name (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolane-5,3'-1-azoniabicyclo[2.2.2]octane]
Molecular Formula C10 H17 N O2 S
2

Fenspiride N-Oxide, TRC

CAS: 210690-26-9 Molecular Formula: C15H20N2O3 Molecular Weight (g/mol): 276.33 Synonym: trans- 8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide,(5α,8β)-8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide; SMILES: [O-][N+]1(CCc2ccccc2)CCC3(CC1)CNC(=O)O3

CAS 210690-26-9
Molecular Weight (g/mol) 276.33
SMILES [O-][N+]1(CCc2ccccc2)CCC3(CC1)CNC(=O)O3
Synonym trans- 8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide,(5α,8β)-8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide;
Molecular Formula C15H20N2O3
3

Cevimeline N,S-dioxide (Mixture of diastereomers), TRC

Molecular Formula: C10 H17 N O3 S Molecular Weight (g/mol): 231.312 Synonym: (2'R,3R,3'S)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1,3'-Dioxide IUPAC Name: (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolane-5,3'-1-azoniabicyclo[2.2.2]octane] 3-oxide SMILES: C[C@H]1O[C@]2(CS1=O)C[N@+]3([O-])CC[C@@H]2CC3

Molecular Weight (g/mol) 231.312
SMILES C[C@H]1O[C@]2(CS1=O)C[N@+]3([O-])CC[C@@H]2CC3
Synonym (2'R,3R,3'S)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1,3'-Dioxide
IUPAC Name (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolane-5,3'-1-azoniabicyclo[2.2.2]octane] 3-oxide
Molecular Formula C10 H17 N O3 S
5

3,3-Tetramethyleneglutarimide, 98%, Thermo Scientific™

CAS: 1075-89-4 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00023871 InChI Key: YRTHJMQKDCXPAY-UHFFFAOYSA-N Synonym: 3,3-tetramethyleneglutarimide,8-azaspiro 4.5 decane-7,9-dione,azaspirodecanedione,1,1-cyclopentanediacetimide,8-aza-spiro 4.5 decane-7,9-dione,buspirone impurity k,dsstox_cid_31405,dsstox_rid_97291,dsstox_gsid_57616 PubChem CID: 136843 IUPAC Name: 8-azaspiro[4.5]decane-7,9-dione SMILES: C1CCC2(C1)CC(=O)NC(=O)C2

PubChem CID 136843
CAS 1075-89-4
Molecular Weight (g/mol) 167.208
MDL Number MFCD00023871
SMILES C1CCC2(C1)CC(=O)NC(=O)C2
Synonym 3,3-tetramethyleneglutarimide,8-azaspiro 4.5 decane-7,9-dione,azaspirodecanedione,1,1-cyclopentanediacetimide,8-aza-spiro 4.5 decane-7,9-dione,buspirone impurity k,dsstox_cid_31405,dsstox_rid_97291,dsstox_gsid_57616
IUPAC Name 8-azaspiro[4.5]decane-7,9-dione
InChI Key YRTHJMQKDCXPAY-UHFFFAOYSA-N
Molecular Formula C9H13NO2
6

3,3-Pentamethylene glutarimide, ≥98%, Thermo Scientific™

CAS: 1130-32-1 Molecular Formula: C10H15NO2 Molecular Weight (g/mol): 181.235 MDL Number: MFCD00023872 InChI Key: FNIPRNMPSXNBDI-UHFFFAOYSA-N Synonym: 3,3-pentamethylene glutarimide,3-azaspiro 5.5 undecane-2,4-dione,1,1-cyclohexanediacetimide,3,3-pentamethyleneglutarimide,3-azaspiro 5,5 undecan-2,4-dione,9-azaspiro 5.5 undecane-8,10-dione,beta,beta-pentamethylen-glutarsaeureimid german,5-21-10-00098 beilstein handbook reference,beta,beta-pentamethylen-glutarsaeureimid PubChem CID: 14324 IUPAC Name: 3-azaspiro[5.5]undecane-2,4-dione SMILES: C1CCC2(CC1)CC(=O)NC(=O)C2

PubChem CID 14324
CAS 1130-32-1
Molecular Weight (g/mol) 181.235
MDL Number MFCD00023872
SMILES C1CCC2(CC1)CC(=O)NC(=O)C2
Synonym 3,3-pentamethylene glutarimide,3-azaspiro 5.5 undecane-2,4-dione,1,1-cyclohexanediacetimide,3,3-pentamethyleneglutarimide,3-azaspiro 5,5 undecan-2,4-dione,9-azaspiro 5.5 undecane-8,10-dione,beta,beta-pentamethylen-glutarsaeureimid german,5-21-10-00098 beilstein handbook reference,beta,beta-pentamethylen-glutarsaeureimid
IUPAC Name 3-azaspiro[5.5]undecane-2,4-dione
InChI Key FNIPRNMPSXNBDI-UHFFFAOYSA-N
Molecular Formula C10H15NO2