SIMEPREVIR SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H46N5O7S2.Na
Molecular Weight	771.921
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]12C[C@]1(NC(=O)[C@]3([H])C[C@H](C[C@@]3([H])C(=O)N(C)CCCCC=C2)OC4=CC(=NC5=C4C=CC(OC)=C5C)C6=NC(=CS6)C(C)C)C(=O)[N-]S(=O)(=O)C7CC7

InChI

InChIKey=LLXQGDWGCCKOQP-MVZLLIIPSA-M

InChI=1S/C38H47N5O7S2.Na/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25;/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H2,41,42,44,46);/q;+1/p-1/b10-8-;/t23-,24-,27-,28-,38-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C38H46N5O7S2
Molecular Weight	748.931
Charge	-1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:31:27 UTC 2023` Edited by `admin` on `Sat Dec 16 09:31:27 UTC 2023`
Record UNII	16U7H60184
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIMEPREVIR SODIUM

Common Name

English

TMC-435 SODIUM SALT

Code

English

OLYSIO

Brand Name

English

Simeprevir sodium [WHO-DD]

Common Name

English

SIMEPREVIR SODIUM [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

EMA ASSESSMENT REPORTS

OLYSIO (AUTHORIZED: HEPATITS C, CHRONIC)