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Details

Stereochemistry MIXED
Molecular Formula C16H19N3O4S
Molecular Weight 349.405
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIKETOPIPERAZINES OF AMPICILLIN

SMILES

CC1(C)SC(N[C@H]1C(O)=O)C2NC(=O)C(NC2=O)C3=CC=CC=C3

InChI

InChIKey=SYAJCNSGBADDGZ-DGVZPSOQSA-N
InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-14(24-16)10-13(21)17-9(12(20)18-10)8-6-4-3-5-7-8/h3-7,9-11,14,19H,1-2H3,(H,17,21)(H,18,20)(H,22,23)/t9?,10?,11-,14?/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H19N3O4S
Molecular Weight 349.405
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:40:09 UTC 2023
Edited
by admin
on Sat Dec 16 06:40:09 UTC 2023
Record UNII
AXS6TD94ZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIKETOPIPERAZINES OF AMPICILLIN
Common Name English
AMPICILLIN REARRANGEMENT PRODUCT (ISOMER 1)
Common Name English
AMPICILLIN TRIHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
AMPICILLIN, ANHYDROUS IMPURITY C [EP IMPURITY]
Common Name English
(4S)-2-(3,6-DIOXO-5-PHENYLPIPERAZIN-2-YL)-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
Systematic Name English
AMPICILLIN REARRANGEMENT PRODUCT (ISOMER 2)
Common Name English
Code System Code Type Description
CAS
49841-96-5
Created by admin on Sat Dec 16 06:40:09 UTC 2023 , Edited by admin on Sat Dec 16 06:40:09 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
101043513
Created by admin on Sat Dec 16 06:40:09 UTC 2023 , Edited by admin on Sat Dec 16 06:40:09 UTC 2023
PRIMARY
FDA UNII
AXS6TD94ZN
Created by admin on Sat Dec 16 06:40:09 UTC 2023 , Edited by admin on Sat Dec 16 06:40:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY