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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H9Br2NO3S
Molecular Weight 359.035
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,6-DIBROMOPENICILLANIC ACID

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)C2(Br)Br)C(O)=O

InChI

InChIKey=YLGIIVBDSLVWDR-BBIVZNJYSA-N
InChI=1S/C8H9Br2NO3S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7/h3,6H,1-2H3,(H,12,13)/t3-,6+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H9Br2NO3S
Molecular Weight 359.035
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.
2009 Jun 18
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:35:50 GMT 2023
Edited
by admin
on Sat Dec 16 08:35:50 GMT 2023
Record UNII
6BK42Q4304
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,6-DIBROMOPENICILLANIC ACID
Common Name English
SULBACTAM RELATED COMPOUND F
USP-RS  
Common Name English
SULBACTAM SODIUM IMPURITY F [EP IMPURITY]
Common Name English
SULBACTAM RELATED COMPOUND F [USP-RS]
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6,6-DIBROMO-3,3-DIMETHYL-7-OXO-, (2S-CIS)-
Systematic Name English
(2S,5R)-6,6-DIBROMO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Systematic Name English
SULBACTAM RELATED COMPOUND F [USP IMPURITY]
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6,6-DIBROMO-3,3-DIMETHYL-7-OXO-, (2S,5R)-
Systematic Name English
Code System Code Type Description
CAS
24158-88-1
Created by admin on Sat Dec 16 08:35:50 GMT 2023 , Edited by admin on Sat Dec 16 08:35:50 GMT 2023
PRIMARY
FDA UNII
6BK42Q4304
Created by admin on Sat Dec 16 08:35:50 GMT 2023 , Edited by admin on Sat Dec 16 08:35:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
246-046-7
Created by admin on Sat Dec 16 08:35:50 GMT 2023 , Edited by admin on Sat Dec 16 08:35:50 GMT 2023
PRIMARY
PUBCHEM
90376
Created by admin on Sat Dec 16 08:35:50 GMT 2023 , Edited by admin on Sat Dec 16 08:35:50 GMT 2023
PRIMARY
RS_ITEM_NUM
1623794
Created by admin on Sat Dec 16 08:35:50 GMT 2023 , Edited by admin on Sat Dec 16 08:35:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID70178861
Created by admin on Sat Dec 16 08:35:50 GMT 2023 , Edited by admin on Sat Dec 16 08:35:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP