6?-Bromopenicillanic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C8H10BrNO3S
Molecular Weight	280.139
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C(O)=O

InChI

InChIKey=DAVPSCAAXXVSFU-RVJQKOHUSA-N

InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4-,6+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C8H10BrNO3S
Molecular Weight	280.139
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:54:47 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:47 GMT 2025`
Record UNII	WFQ67H4L2M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sulbactam Related Compound (6-alfa-Bromopenicillanic acid)

Preferred Name

English

6?-Bromopenicillanic acid

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, [2S-(2?,5?,6?)]-

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, (2S,5R,6S)-

Systematic Name

English

(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, stereoisomer

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID101122521

Created by admin on Wed Apr 02 17:54:47 GMT 2025 , Edited by admin on Wed Apr 02 17:54:47 GMT 2025

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FDA UNII

WFQ67H4L2M

Created by admin on Wed Apr 02 17:54:47 GMT 2025 , Edited by admin on Wed Apr 02 17:54:47 GMT 2025

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CAS

24138-28-1

Created by admin on Wed Apr 02 17:54:47 GMT 2025 , Edited by admin on Wed Apr 02 17:54:47 GMT 2025

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PUBCHEM

90371

Created by admin on Wed Apr 02 17:54:47 GMT 2025 , Edited by admin on Wed Apr 02 17:54:47 GMT 2025

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