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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20Cl2N4O3S
Molecular Weight 467.369
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-((3,5-DICHLOROPHENYL)THIO)-.ALPHA.4,.ALPHA.4-DIMETHYL-1-(4-PYRIDINYLMETHYL)-1H-IMIDAZOLE-2,4-DIMETHANOL 2-CARBAMATE

SMILES

CC(C)(O)C1=C(SC2=CC(Cl)=CC(Cl)=C2)N(CC3=CC=NC=C3)C(COC(N)=O)=N1

InChI

InChIKey=PUDLXICQSAQSLL-UHFFFAOYSA-N
InChI=1S/C20H20Cl2N4O3S/c1-20(2,28)17-18(30-15-8-13(21)7-14(22)9-15)26(10-12-3-5-24-6-4-12)16(25-17)11-29-19(23)27/h3-9,28H,10-11H2,1-2H3,(H2,23,27)

HIDE SMILES / InChI

Molecular Formula C20H20Cl2N4O3S
Molecular Weight 467.369
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:02:50 GMT 2023
Edited
by admin
on Sat Dec 16 16:02:50 GMT 2023
Record UNII
ECG1QCI7DB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((3,5-DICHLOROPHENYL)THIO)-.ALPHA.4,.ALPHA.4-DIMETHYL-1-(4-PYRIDINYLMETHYL)-1H-IMIDAZOLE-2,4-DIMETHANOL 2-CARBAMATE
Systematic Name English
CAPRAVIRINE METABOLITE C19/M4
Common Name English
1H-IMIDAZOLE-2,4-DIMETHANOL, 5-((3,5-DICHLOROPHENYL)THIO)-.ALPHA.4,.ALPHA.4-DIMETHYL-1-(4-PYRIDINYLMETHYL)-, 2-CARBAMATE
Systematic Name English
Code System Code Type Description
PUBCHEM
11488158
Created by admin on Sat Dec 16 16:02:50 GMT 2023 , Edited by admin on Sat Dec 16 16:02:50 GMT 2023
PRIMARY
CAS
757211-45-3
Created by admin on Sat Dec 16 16:02:50 GMT 2023 , Edited by admin on Sat Dec 16 16:02:50 GMT 2023
PRIMARY
FDA UNII
ECG1QCI7DB
Created by admin on Sat Dec 16 16:02:50 GMT 2023 , Edited by admin on Sat Dec 16 16:02:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA
PARENT -> METABOLITE
FECAL; URINE