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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29N5O6S
Molecular Weight 491.561
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONODECARBOXY PIPERACILLOIC ACID

SMILES

CCN1CCN(C(=O)N[C@@H](C(=O)NC[C@@H]2N[C@@H](C(O)=O)C(C)(C)S2)C3=CC=CC=C3)C(=O)C1=O

InChI

InChIKey=PERAIFYAYPAERV-OAGGEKHMSA-N
InChI=1S/C22H29N5O6S/c1-4-26-10-11-27(19(30)18(26)29)21(33)25-15(13-8-6-5-7-9-13)17(28)23-12-14-24-16(20(31)32)22(2,3)34-14/h5-9,14-16,24H,4,10-12H2,1-3H3,(H,23,28)(H,25,33)(H,31,32)/t14-,15-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H29N5O6S
Molecular Weight 491.561
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 Sat Dec 16 11:24:57 UTC 2023
Edited
by admin
on Sat Dec 16 11:24:57 UTC 2023
Record UNII
4MXX6GAA2S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONODECARBOXY PIPERACILLOIC ACID
Common Name English
4-THIAZOLIDINECARBOXYLIC ACID, 2-((((((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)PHENYLACETYL)AMINO)METHYL)-5,5-DIMETHYL-, (2R-(2.ALPHA.(R*),4.BETA.))-
Systematic Name English
PIPERACILLIN SODIUM IMPURITY C [EP IMPURITY]
Common Name English
.ALPHA.-(4-ETHYL-2,3-DIOXO-1-PIPERAZINECARBOXAMIDO)BENZYLPENILLOIC ACID
Common Name English
Code System Code Type Description
CAS
64817-23-8
Created by admin on Sat Dec 16 11:24:57 UTC 2023 , Edited by admin on Sat Dec 16 11:24:57 UTC 2023
PRIMARY
FDA UNII
4MXX6GAA2S
Created by admin on Sat Dec 16 11:24:57 UTC 2023 , Edited by admin on Sat Dec 16 11:24:57 UTC 2023
PRIMARY
PUBCHEM
129011628
Created by admin on Sat Dec 16 11:24:57 UTC 2023 , Edited by admin on Sat Dec 16 11:24:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP