U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21N3O6S
Molecular Weight 383.419
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Amoxipenicilloic acid

SMILES

CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O)[C@H](N)C2=CC=C(O)C=C2)C(O)=O

InChI

InChIKey=LHHKJQFIKHAUIA-MPPDQPJWSA-N
InChI=1S/C16H21N3O6S/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t9-,10+,11+,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H21N3O6S
Molecular Weight 383.419
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:43:56 GMT 2025
Edited
by admin
on Mon Mar 31 21:43:56 GMT 2025
Record UNII
7G1K6Y4E0U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMOXICILLIN RELATED COMPOUND D
Preferred Name English
Amoxipenicilloic acid
Common Name English
AMOXICILLIN SODIUM IMPURITY D [EP IMPURITY]
Common Name English
AMOXICILLIN TRIHYDRATE IMPURITY D [EP IMPURITY]
Common Name English
AMOXICILLIN RELATED COMPOUND D [USP-RS]
Common Name English
(2R)-(2R)-2-(4-Hydroxyphenyl)glycyl-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycine
Systematic Name English
Amoxycilloic acid
Common Name English
Glycine, (2R)-2-(4-hydroxyphenyl)glycyl-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]-, (2R)-
Systematic Name English
Code System Code Type Description
CAS
42947-63-7
Created by admin on Mon Mar 31 21:43:56 GMT 2025 , Edited by admin on Mon Mar 31 21:43:56 GMT 2025
PRIMARY
CAS
1642629-94-4
Created by admin on Mon Mar 31 21:43:56 GMT 2025 , Edited by admin on Mon Mar 31 21:43:56 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
RS_ITEM_NUM
1031547
Created by admin on Mon Mar 31 21:43:56 GMT 2025 , Edited by admin on Mon Mar 31 21:43:56 GMT 2025
PRIMARY
FDA UNII
7G1K6Y4E0U
Created by admin on Mon Mar 31 21:43:56 GMT 2025 , Edited by admin on Mon Mar 31 21:43:56 GMT 2025
PRIMARY
PUBCHEM
446954
Created by admin on Mon Mar 31 21:43:56 GMT 2025 , Edited by admin on Mon Mar 31 21:43:56 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY