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CAS RN 69712-56-7

CH3O(S)HNOSSNH2OOHO(R)SNOHOOSNNNNCH3(?)

CAS RN 69712-56-7

IUPAC Name: (6R,7S)-7-{4-[carbamoyl(carboxy)methylidene]-1,3-dithietane-2-amido}-7-methoxy-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Synonyms: cefotetan
Molecular Weight (g/mol): 575.6
Molecular Formula: C17H17N7O8S4
InChi Key: SRZNHPXWXCNNDU-IXOPCIAXSA-N
SMILES: CO[C@]1(NC(=O)C2SC(S2)=C(C(N)=O)C(O)=O)[C@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O
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1

Cefotetan, TRC

CAS: 69712-56-7 Molecular Formula: C17 H17 N7 O8 S4 Molecular Weight (g/mol): 575.62 Synonym: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7S)-,5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, [6R-(6α,7α)]-,1,3-Dithietane, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.,Apacef,Cefotetan IUPAC Name: (6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C

CAS 69712-56-7
Molecular Weight (g/mol) 575.62
SMILES CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C
Synonym 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7S)-,5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, [6R-(6α,7α)]-,1,3-Dithietane, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.,Apacef,Cefotetan
IUPAC Name (6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula C17 H17 N7 O8 S4
2

Cefotetan, 95+%, Thermo Scientific Chemicals

CAS: 69712-56-7 Molecular Formula: C17H17N7O8S4 Molecular Weight (g/mol): 575.63 InChI Key: SRZNHPXWXCNNDU-RHBCBLIFSA-N Synonym: cefotetan,cefotetanum,apacef,cefotetanum inn-latin,6r,7s-7-4-2-amino-1-carboxy-2-oxoethylidene-1,3-dithietan-2-yl carbonyl amino-7-methoxy-3-1-methyl-1h-tetrazol-5-yl sulfanyl methyl-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid,cefotan tn,6r,7s-7-4-carbamoylcarboxymethylene-1,3-dithiethane-2-carboxamido-7-methoxy-3-1-methyl-1h-tetrazol-5-yl thio methyl-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid,7beta-4-2-amino-1-carboxy-2-oxoethylidene-1,3-dithietan-2-yl carbonyl amino-7alpha-methoxy-3-1-methyl-1h-tetrazol-5-yl sulfanyl methyl-3,4-didehydrocepham-4-carboxylic acid,6r,7s-7-4-1-amino-3-hydroxy-1,3-dioxopropan-2-ylidene-1,3-dithietane-2-carbonyl amino-7-methoxy-3-1-methyltetrazol-5-yl sulfanylmethyl-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid PubChem CID: 53025 IUPAC Name: (6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O

PubChem CID 53025
CAS 69712-56-7
Molecular Weight (g/mol) 575.63
SMILES CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O
Synonym cefotetan,cefotetanum,apacef,cefotetanum inn-latin,6r,7s-7-4-2-amino-1-carboxy-2-oxoethylidene-1,3-dithietan-2-yl carbonyl amino-7-methoxy-3-1-methyl-1h-tetrazol-5-yl sulfanyl methyl-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid,cefotan tn,6r,7s-7-4-carbamoylcarboxymethylene-1,3-dithiethane-2-carboxamido-7-methoxy-3-1-methyl-1h-tetrazol-5-yl thio methyl-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid,7beta-4-2-amino-1-carboxy-2-oxoethylidene-1,3-dithietan-2-yl carbonyl amino-7alpha-methoxy-3-1-methyl-1h-tetrazol-5-yl sulfanyl methyl-3,4-didehydrocepham-4-carboxylic acid,6r,7s-7-4-1-amino-3-hydroxy-1,3-dioxopropan-2-ylidene-1,3-dithietane-2-carbonyl amino-7-methoxy-3-1-methyltetrazol-5-yl sulfanylmethyl-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid
IUPAC Name (6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI Key SRZNHPXWXCNNDU-RHBCBLIFSA-N
Molecular Formula C17H17N7O8S4