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

Details

Stereochemistry MIXED
Molecular Formula C16H21N3O6S
Molecular Weight 383.419
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMOXICILLIN OPEN RING

SMILES

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

InChI

InChIKey=LHHKJQFIKHAUIA-JJOYANBFSA-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 MIXED
Additional Stereochemistry No
Defined Stereocenters 2 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:51:02 UTC 2023
Edited
by admin
on Sat Dec 16 07:51:02 UTC 2023
Record UNII
7G1K6Y4E0U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMOXICILLIN OPEN RING
Common Name English
AMOXICILLIN RELATED COMPOUND D
Common Name English
AMOXICILLIN SODIUM IMPURITY D [EP IMPURITY]
Common Name English
(4S)-2-(((R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETAMIDO)(CARBOXY)METHYL(-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
Common Name English
AMOXICILLIN TRIHYDRATE IMPURITY D [EP IMPURITY]
Common Name English
AMOXICILLIN RELATED COMPOUND D [USP-RS]
Common Name English
(4S)-2-((((2R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETYL)AMINO)CARBOXYMETHYL)-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1031547
Created by admin on Sat Dec 16 07:51:02 UTC 2023 , Edited by admin on Sat Dec 16 07:51:02 UTC 2023
PRIMARY
FDA UNII
7G1K6Y4E0U
Created by admin on Sat Dec 16 07:51:02 UTC 2023 , Edited by admin on Sat Dec 16 07:51:02 UTC 2023
PRIMARY
PUBCHEM
101043512
Created by admin on Sat Dec 16 07:51:02 UTC 2023 , Edited by admin on Sat Dec 16 07:51:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP