Sulbenicillin structure, CAS 34779-28-7

Sulbenicillin

CAS Number34779-28-7

Synonyms(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfo-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenyl-2-sulfoethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-phenyl-2-sulfo-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfo-ethanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Molecular FormulaC16H18N2O7S2

Molecular Weight458.42

Purity≥95 (H-NMR)%

Density1.64g/cm3

Boiling Point

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-1194502 Purity: ≥95 (H-NMR)%
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Quality Control of [ 34779-28-7 ] Purity: ≥95 (H-NMR)% SDS Specification MoL

Chemical & Physical Properties
CAS Number34779-28-7
Catalog No.2A-1194502
Chinese NameSulbenicillin
Synonyms(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfo-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenyl-2-sulfoethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-phenyl-2-sulfo-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfo-ethanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC16H18N2O7S2
Molecular Weight458.42
Purity≥95 (H-NMR)
Density1.64g/cm3
Appearancepowder
PubChem ID13352
SMILESCC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
InChI1S/C16H18N2O7S2.2Na/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2/t9-,10?,11+,14-;;/m1./s1
InChI KeyFWRNIJIOFYDBES-HCIBPFAFSA-L
NACRES CodeNA.21
UNSPSC51101500
MSDSmsds/196130_1_34779_28_7.pdf
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