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Sulbenicillin

Sulbenicillin structure

CAS No:
41744-40-5
Formula:
C16H18N2O7S2
Chemical Name:
Sulbenicillin
Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-,(2S,5R,6R)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylsulfoacetyl)amino]-,[2S-[2α,5α,6β(S*)]]-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[[(2R)-phenylsulfoacetyl]amino]-,(2S,5R,6R)-;(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;D-(-)-Sulbenicillin;Sulbenicillin,D-(-)-;α-Sulfobenzylpenicillin;Sulbenicillin;SBPC;12772-42-8;34779-28-7
Categories:
Active Pharmaceutical Ingredients > Antibiotics

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Description

ChEBI: A penicillin antibiotic having a 6beta-[phenyl(sulfo)acetamido] side-chain.

Semisynthetic penicillin-type antibiotic.

Sulbenicillin Basic Attributes

Molecular Weight：

414.45

Exact Mass：

414.45

EC Number：

255-528-6

ATC Code：

J - Antiinfectives for systemic use

Characteristics

PSA：

175

XLogP3：

1.65680

Appearance：

white crystalline powder

Density：

1.64g/cm3

Melting Point：

197 °C (decomp)

Drug Information

MeSH：

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

MeSH Entry Terms：

alpha-Sulfobenzylpenicillin, Disodium

Computed Properties

Molecular Weight:414.5
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:414.05554326
Monoisotopic Mass:414.05554326
Topological Polar Surface Area:175
Heavy Atom Count:27
Complexity:755
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes