DANOPREVIR SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H45FN5O9S.Na
Molecular Weight	753.813
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]12C[C@H](CN1C(=O)[C@H](CCCCCC=C[C@@H]3C[C@]3(NC2=O)C(=O)[N-]S(=O)(=O)C4CC4)NC(=O)OC(C)(C)C)OC(=O)N5CC6=C(C5)C(F)=CC=C6

InChI

InChIKey=GXYYUDQAGCVAGJ-HHGSPMIASA-M

InChI=1S/C35H46FN5O9S.Na/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40;/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H3,37,38,39,42,44,45);/q;+1/p-1/b11-7-;/t22-,23-,27+,28+,35-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C35H46FN5O9S
Molecular Weight	731.831
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 `Fri Dec 15 19:50:44 UTC 2023` Edited by `admin` on `Fri Dec 15 19:50:44 UTC 2023`
Record UNII	217RJI972K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DANOPREVIR SODIUM

Official Name

English

DANOPREVIR SODIUM [USAN]

Common Name

English

Danoprevir sodium [WHO-DD]

Common Name

English

R7227

Code

English

R-7227

Code

English

RO-5190591-001

Code

English

RO5190591-001

Code

English

ITMN-191

Code

English

Code System Code Type Description

PUBCHEM

23718928