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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H11NO3S
Molecular Weight 201.243
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLANIC ACID

SMILES

[H][C@@]12CC(=O)N1[C@@H](C(O)=O)C(C)(C)S2

InChI

InChIKey=RBKMMJSQKNKNEV-RITPCOANSA-N
InChI=1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PENICILLANIC ACID
MI  
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-
Systematic Name English
PENICILLANIC ACID [MI]
Common Name English
(2S-CIS)-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, 3,3-DIMETHYL-7-OXO-, (2S,5R)-
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3- DIMETHYL-7-OXO-, (2S-CIS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6891
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID90236038
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY
FDA UNII
PIS09H0QIX
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY
CAS
87-53-6
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-750-3
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY
MERCK INDEX
m8470
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY Merck Index
CHEBI
37806
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY