FALDAPREVIR SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H48BrN6O9S.Na
Molecular Weight	891.803
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@]1(C[C@]1(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)OC4=C5C=CC(OC)=C(Br)C5=NC(=C4)C6=CSC(NC(=O)C(C)C)=N6)C([O-])=O)C=C

InChI

InChIKey=JYIOGGWFNHGWMN-CWNXUBRBSA-M

InChI=1S/C40H49BrN6O9S.Na/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41;/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48);/q;+1/p-1/t21-,23-,27+,32-,40-;/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	C40H48BrN6O9S
Molecular Weight	868.813
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 `Fri Dec 15 16:25:30 UTC 2023` Edited by `admin` on `Fri Dec 15 16:25:30 UTC 2023`
Record UNII	1494Q15E7Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FALDAPREVIR SODIUM

Official Name

English

BI-201335 SODIUM SALT

Code

English

BI-201335-NA

Code

English

FALDAPREVIR, SODIUM SALT

Common Name

English

Faldaprevir sodium [WHO-DD]

Common Name

English

BI-201335NA

Code

English

BI 201335 NA

Code

English

BI-201335 NA SALT

Code

English

FALDAPREVIR SODIUM [JAN]

Common Name

English

FALDAPREVIR SODIUM [USAN]

Common Name

English

BI-201335 NA

Code

English

Code System Code Type Description

USAN

AB-20