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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H34N6O8S
Molecular Weight 650.702
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,5R,6R)-6-((2R)-2-((2R)-2-(4-ETHYL-2,3-DIOXOPIPERAZINE-1-CARBOXAMIDO)-2-PHENYLACETAMIDO)-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

SMILES

[H][C@](NC(=O)N1CCN(CC)C(=O)C1=O)(C(=O)N[C@@]([H])(C(=O)N[C@]2([H])C(=O)N3[C@]2([H])SC(C)(C)[C@]3([H])C(O)=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=GOVBHYBWIJUSIH-PGWCQGBFSA-N
InChI=1S/C31H34N6O8S/c1-4-35-15-16-36(27(42)26(35)41)30(45)34-20(18-13-9-6-10-14-18)24(39)32-19(17-11-7-5-8-12-17)23(38)33-21-25(40)37-22(29(43)44)31(2,3)46-28(21)37/h5-14,19-22,28H,4,15-16H2,1-3H3,(H,32,39)(H,33,38)(H,34,45)(H,43,44)/t19-,20-,21-,22+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H34N6O8S
Molecular Weight 650.702
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:24:59 UTC 2023
Edited
by admin
on Sat Dec 16 11:24:59 UTC 2023
Record UNII
F28CS9F7AY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,5R,6R)-6-((2R)-2-((2R)-2-(4-ETHYL-2,3-DIOXOPIPERAZINE-1-CARBOXAMIDO)-2-PHENYLACETAMIDO)-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Systematic Name English
PIPERACILLIN SODIUM IMPURITY P [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
139025527
Created by admin on Sat Dec 16 11:24:59 UTC 2023 , Edited by admin on Sat Dec 16 11:24:59 UTC 2023
PRIMARY
FDA UNII
F28CS9F7AY
Created by admin on Sat Dec 16 11:24:59 UTC 2023 , Edited by admin on Sat Dec 16 11:24:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP