COBLOPASVIR DIHYDROCHLORIDE

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

Structure Search

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=C5OCOC5=C(C=C4)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@@H](NC(=O)OC)C(C)C

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	C41H50N8O8
Molecular Weight	782.8845
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:46:59 UTC 2023` Edited by `admin` on `Sat Dec 16 18:46:59 UTC 2023`
Record UNII	MW23WVJ6AD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COBLOPASVIR DIHYDROCHLORIDE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

1966138-53-3

Created by admin on Sat Dec 16 18:46:59 UTC 2023 , Edited by admin on Sat Dec 16 18:46:59 UTC 2023

PRIMARY

FDA UNII

MW23WVJ6AD

Created by admin on Sat Dec 16 18:46:59 UTC 2023 , Edited by admin on Sat Dec 16 18:46:59 UTC 2023

PRIMARY

PUBCHEM

141537347

Created by admin on Sat Dec 16 18:46:59 UTC 2023 , Edited by admin on Sat Dec 16 18:46:59 UTC 2023

PRIMARY

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