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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28N2O6S.H2O
Molecular Weight 550.623
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZHYDRYL PENICILLIN V SULFOXIDE MONOHYDRATE , (S)-

SMILES

O.[H][C@@]12[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N1[C@@H](C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)[S@@+]2[O-]

InChI

InChIKey=ZFBGWXDZOYWZDI-RYMGLMLMSA-N
InChI=1S/C29H28N2O6S.H2O/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21;/h3-17,23-25,27H,18H2,1-2H3,(H,30,32);1H2/t23-,25+,27-,38-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZHYDRYL PENICILLIN V SULFOXIDE MONOHYDRATE , (S)-
Common Name English
-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENOXYACETYL)AMINO)-, DIPHENYLMETHYL ESTER, 4-OXIDE, MONOHYDRATE, (2S-(2.ALPHA.,4.BETA.,5.ALPHA.,6.BETA.))-
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((2-PHENOXYACETYL)AMINO)-, DIPHENYLMETHYL ESTER, 4-OXIDE, HYDRATE (1:1), (2S,4S,5R,6R)-
Systematic Name English
PENICILLIN V SULFOXIDE BENZHYDRYL ESTER MONOHYDRATE , (S)-
Common Name English
Code System Code Type Description
PUBCHEM
134687591
Created by admin on Sat Dec 16 15:00:16 GMT 2023 , Edited by admin on Sat Dec 16 15:00:16 GMT 2023
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CAS
186099-10-5
Created by admin on Sat Dec 16 15:00:16 GMT 2023 , Edited by admin on Sat Dec 16 15:00:16 GMT 2023
PRIMARY
FDA UNII
E7HL3LV2W4
Created by admin on Sat Dec 16 15:00:16 GMT 2023 , Edited by admin on Sat Dec 16 15:00:16 GMT 2023
PRIMARY