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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28N2O6S
Molecular Weight 532.607
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

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

SMILES

[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=LCRVLXSXMGVJHV-FPJXFLSRSA-N
InChI=1S/C29H28N2O6S/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)/t23-,25+,27-,38+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H28N2O6S
Molecular Weight 532.607
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 14:09:11 GMT 2023
Edited
by admin
on Sat Dec 16 14:09:11 GMT 2023
Record UNII
N6T06D6CRE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZHYDRYL PENICILLIN V SULFOXIDE, (R)-
Common Name English
PENICILLIN V SULFOXIDE BENZHYDRYL ESTER, (R)-
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENOXYACETYL)AMINO)-, DIPHENYLMETHYL ESTER, 4-OXIDE, (2S-(2.ALPHA.,4.ALPHA.,5.ALPHA.,6.BETA.))-
Systematic Name English
Code System Code Type Description
CAS
64312-86-3
Created by admin on Sat Dec 16 14:09:11 GMT 2023 , Edited by admin on Sat Dec 16 14:09:11 GMT 2023
PRIMARY
PUBCHEM
98049192
Created by admin on Sat Dec 16 14:09:11 GMT 2023 , Edited by admin on Sat Dec 16 14:09:11 GMT 2023
PRIMARY
FDA UNII
N6T06D6CRE
Created by admin on Sat Dec 16 14:09:11 GMT 2023 , Edited by admin on Sat Dec 16 14:09:11 GMT 2023
PRIMARY
Related Record Type Details
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