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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H50N8O8.2ClH
Molecular Weight 855.806
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COBLOPASVIR DIHYDROCHLORIDE

SMILES

Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C7=C4OCO7

InChI

InChIKey=NQXPKJCTLPFQIS-KJIUXTSNSA-N
InChI=1S/C41H50N8O8.2ClH/c1-22(2)32(46-40(52)54-5)38(50)48-17-7-9-30(48)36-42-19-28(44-36)25-13-11-24(12-14-25)26-15-16-27(35-34(26)56-21-57-35)29-20-43-37(45-29)31-10-8-18-49(31)39(51)33(23(3)4)47-41(53)55-6;;/h11-16,19-20,22-23,30-33H,7-10,17-18,21H2,1-6H3,(H,42,44)(H,43,45)(H,46,52)(H,47,53);2*1H/t30-,31-,32-,33-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C41H50N8O8
Molecular Weight 782.8845
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:14:56 GMT 2025
Edited
by admin
on Wed Apr 02 12:14:56 GMT 2025
Record UNII
MW23WVJ6AD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4-(7-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-1,3-BENZODIOXOL-4-YL)PHENYL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)-, METHYL ESTER, HYDROCHL
Preferred Name English
COBLOPASVIR DIHYDROCHLORIDE
Common Name English
Code System Code Type Description
SMS_ID
300000056906
Created by admin on Wed Apr 02 12:14:56 GMT 2025 , Edited by admin on Wed Apr 02 12:14:56 GMT 2025
PRIMARY
CAS
1966138-53-3
Created by admin on Wed Apr 02 12:14:56 GMT 2025 , Edited by admin on Wed Apr 02 12:14:56 GMT 2025
PRIMARY
FDA UNII
MW23WVJ6AD
Created by admin on Wed Apr 02 12:14:56 GMT 2025 , Edited by admin on Wed Apr 02 12:14:56 GMT 2025
PRIMARY
PUBCHEM
141537347
Created by admin on Wed Apr 02 12:14:56 GMT 2025 , Edited by admin on Wed Apr 02 12:14:56 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE