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Details

Stereochemistry MIXED
Molecular Formula C32H38N4O4S
Molecular Weight 574.734
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4S)-2-[2-[benzyl-[2-(benzylamino)ethyl]amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid

SMILES

CC1(C)SC(N[C@H]1C(O)=O)C(NC(=O)CC2=CC=CC=C2)C(=O)N(CCNCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChIKey=QRTJRLAIZBFXKP-VJPAEBCTSA-N
InChI=1S/C32H38N4O4S/c1-32(2)28(31(39)40)35-29(41-32)27(34-26(37)20-23-12-6-3-7-13-23)30(38)36(22-25-16-10-5-11-17-25)19-18-33-21-24-14-8-4-9-15-24/h3-17,27-29,33,35H,18-22H2,1-2H3,(H,34,37)(H,39,40)/t27?,28-,29?/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H38N4O4S
Molecular Weight 574.734
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:53:54 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:54 GMT 2023
Record UNII
2H4DXQ22KB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4S)-2-[2-[benzyl-[2-(benzylamino)ethyl]amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
Systematic Name English
(2Ξ,4S)-2-[(1Ξ)-2-[benzyl[2-(benzylamino)ethyl]amino]-2-oxo-1-(2-phenylacetamido)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (benzylpenicilloic acids benzathide)
Systematic Name English
BENZYLPENICILLIN (BENZATHINE) TETRAHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
154584016
Created by admin on Sat Dec 16 19:53:54 GMT 2023 , Edited by admin on Sat Dec 16 19:53:54 GMT 2023
PRIMARY
FDA UNII
2H4DXQ22KB
Created by admin on Sat Dec 16 19:53:54 GMT 2023 , Edited by admin on Sat Dec 16 19:53:54 GMT 2023
PRIMARY
CAS
154584016
Created by admin on Sat Dec 16 19:53:54 GMT 2023 , Edited by admin on Sat Dec 16 19:53:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY