VOLIXIBAT POTASSIUM MONOETHANOLATE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H50N3O12S2.C2H6O.K.H2O
Molecular Weight	908.129
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VOLIXIBAT POTASSIUM MONOETHANOLATE MONOHYDRATE

Structure Search

SMILES

O.[K+].CCO.CCCC[C@]1(CC)CS(=O)(=O)C2=CC=C(C=C2[C@H]([C@H]1O)C3=CC(NC(=O)N[C@@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](OCC5=CC=CC=C5)[C@H]4O)=CC=C3)N(C)C

InChI

InChIKey=RZVOGBCISVYZAK-CMTWHQOSSA-M

InChI=1S/C38H51N3O12S2.C2H6O.K.H2O/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50;1-2-3;;/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50);3H,2H2,1H3;;1H2/q;;+1;/p-1/t29-,31-,32-,33-,34+,35-,36-,38-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C2H6O
Molecular Weight	46.0684
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C38H51N3O12S2
Molecular Weight	805.954
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:46:50 UTC 2023` Edited by `admin` on `Sat Dec 16 09:46:50 UTC 2023`
Record UNII	17D5LDM09J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VOLIXIBAT POTASSIUM MONOETHANOLATE MONOHYDRATE

Common Name

English

UREA, N-(3-((3S,4R,5R)-3-BUTYL-7-(DIMETHYLAMINO)-3-ETHYL-2,3,4,5-TETRAHYDRO-4-HYDROXY-1,1-DIOXIDO-1-BENZOTHIEPIN-5-YL)PHENYL)-N'-(3-O-(PHENYLMETHYL)-6-O-SULFO-.BETA.-D-GLUCOPYRANOSYL)-, POTASSIUM SALT, COMPD. WITH ETHANOL, HYDRATE (1:1:1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

17D5LDM09J

Created by admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023

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SMS_ID

300000001422

Created by admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023

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CAS