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

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H56N6O8S2
Molecular Weight 909.124
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R,2R,4S,4S)-2,2-((4R,11R)-6,9-DIBENZYL-2,5,10,13-TETRAOXO-1,14-DIPHENYL-3,6,9,12-TETRAAZATETRADECANE-4,11-DIYL)BIS(5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID)AZOLIDINE-4-CARBOXYLIC ACID)

SMILES

[H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)CC2=CC=CC=C2)C(=O)N(CCN(CC3=CC=CC=C3)C(=O)[C@@H](NC(=O)CC4=CC=CC=C4)[C@]5([H])N[C@@H](C(O)=O)C(C)(C)S5)CC6=CC=CC=C6

InChI

InChIKey=RIVBNBQSUWDAKN-AZOCGYLKSA-N
InChI=1S/C48H56N6O8S2/c1-47(2)39(45(59)60)51-41(63-47)37(49-35(55)27-31-17-9-5-10-18-31)43(57)53(29-33-21-13-7-14-22-33)25-26-54(30-34-23-15-8-16-24-34)44(58)38(42-52-40(46(61)62)48(3,4)64-42)50-36(56)28-32-19-11-6-12-20-32/h5-24,37-42,51-52H,25-30H2,1-4H3,(H,49,55)(H,50,56)(H,59,60)(H,61,62)/t37-,38-,39-,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2R,2R,4S,4S)-2,2-((4R,11R)-6,9-DIBENZYL-2,5,10,13-TETRAOXO-1,14-DIPHENYL-3,6,9,12-TETRAAZATETRADECANE-4,11-DIYL)BIS(5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID)AZOLIDINE-4-CARBOXYLIC ACID)
Systematic Name English
BENZATHINE BENZYLPENICILLIN IMPURITY K [EP IMPURITY]
Common Name English
BENZYLPENICILLIN (BENZATHINE) TETRAHYDRATE IMPURITY K [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
BTX72A8DGL
Created by admin on Sat Dec 16 14:09:31 GMT 2023 , Edited by admin on Sat Dec 16 14:09:31 GMT 2023
PRIMARY
PUBCHEM
155928784
Created by admin on Sat Dec 16 14:09:31 GMT 2023 , Edited by admin on Sat Dec 16 14:09:31 GMT 2023
PRIMARY