U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12N2O4S
Molecular Weight 244.268
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-FORMAMIDOPENICILLANIC ACID

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC=O)C(O)=O

InChI

InChIKey=MDQGTDMBVJCTBN-JCGDXUMPSA-N
InChI=1S/C9H12N2O4S/c1-9(2)5(8(14)15)11-6(13)4(10-3-12)7(11)16-9/h3-5,7H,1-2H3,(H,10,12)(H,14,15)/t4-,5+,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H12N2O4S
Molecular Weight 244.268
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
IgE antibodies for penicillins and cephalosporins in rats. II. Antigenic specificity of rat anti-penicillin-OvA IgE sera.
1981 Jan
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:46:29 GMT 2023
Edited
by admin
on Sat Dec 16 10:46:29 GMT 2023
Record UNII
2TC14ZH3A5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-FORMAMIDOPENICILLANIC ACID
Common Name English
HIS-1201
Common Name English
PAB 141
Code English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(FORMYLAMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Common Name English
141A/2A
Code English
6-FORMAMIDO-2,2-DIMETHYLPENAM-3.ALPHA.-CARBOXYLIC ACID
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(FORMYLAMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
Common Name English
(2S,5R,6R)-6-FORMAMIDO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Systematic Name English
CTK2F8101
Code English
Code System Code Type Description
FDA UNII
2TC14ZH3A5
Created by admin on Sat Dec 16 10:46:30 GMT 2023 , Edited by admin on Sat Dec 16 10:46:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID90429524
Created by admin on Sat Dec 16 10:46:30 GMT 2023 , Edited by admin on Sat Dec 16 10:46:30 GMT 2023
PRIMARY
PUBCHEM
9548591
Created by admin on Sat Dec 16 10:46:30 GMT 2023 , Edited by admin on Sat Dec 16 10:46:30 GMT 2023
PRIMARY
CAS
64527-04-4
Created by admin on Sat Dec 16 10:46:30 GMT 2023 , Edited by admin on Sat Dec 16 10:46:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Unit: percent of total dose; in 6hr pooled urine after single oral administration of Pivmecillinam (500mg as Amdinocillin); two adult male
IN-VIVO
URINE