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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2O5S
Molecular Weight 350.39
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLIN X

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=C(O)C=C3)C(O)=O

InChI

InChIKey=AZCVBVRUYHKWHU-MBNYWOFBSA-N
InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18N2O5S
Molecular Weight 350.39
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 Fri Dec 15 15:55:11 GMT 2023
Edited
by admin
on Fri Dec 15 15:55:11 GMT 2023
Record UNII
W097A2S1DU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENICILLIN X
Common Name English
PENICILLIN III
Common Name English
BENZATHINE BENZYLPENICILLIN IMPURITY G [EP IMPURITY]
Common Name English
(2S,5R,6R)-6-(2-(4-HYDROXYPHENYL)ACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Systematic Name English
BENZYLPENICILLIN (BENZATHINE) TETRAHYDRATE IMPURITY G [EP IMPURITY]
Common Name English
P-HYDROXYBENZYLPENICILLIN
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((2-(4-HYDROXYPHENYL)ACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
Systematic Name English
PENICILLIN G SODIUM IMPURITY C [EP IMPURITY]
Common Name English
BENZYLPENICILLIN SODIUM IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
W097A2S1DU
Created by admin on Fri Dec 15 15:55:12 GMT 2023 , Edited by admin on Fri Dec 15 15:55:12 GMT 2023
PRIMARY
CAS
525-91-7
Created by admin on Fri Dec 15 15:55:12 GMT 2023 , Edited by admin on Fri Dec 15 15:55:12 GMT 2023
PRIMARY
SMS_ID
100000130014
Created by admin on Fri Dec 15 15:55:12 GMT 2023 , Edited by admin on Fri Dec 15 15:55:12 GMT 2023
PRIMARY
EVMPD
SUB40870
Created by admin on Fri Dec 15 15:55:12 GMT 2023 , Edited by admin on Fri Dec 15 15:55:12 GMT 2023
PRIMARY
PUBCHEM
120720
Created by admin on Fri Dec 15 15:55:12 GMT 2023 , Edited by admin on Fri Dec 15 15:55:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID20200505
Created by admin on Fri Dec 15 15:55:12 GMT 2023 , Edited by admin on Fri Dec 15 15:55:12 GMT 2023
PRIMARY
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