ODEVIXIBAT SESQUIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C37H48N4O8S2.3H2O
Molecular Weight	1535.904
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.CCCCC1(CCCC)CN(C2=CC=CC=C2)C3=CC(SC)=C(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)C4=CC=C(O)C=C4)C=C3S(=O)(=O)N1.CCCCC5(CCCC)CN(C6=CC=CC=C6)C7=CC(SC)=C(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)C8=CC=C(O)C=C8)C=C7S(=O)(=O)N5

InChI

InChIKey=UIYFGCAQGONAMU-ZHQCGWDOSA-N

InChI=1S/2C37H48N4O8S2.3H2O/c2*1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46;;;/h2*10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46);3*1H2/t2*28-,34+;;;/m00.../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C37H48N4O8S2
Molecular Weight	740.929
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:02:25 UTC 2023` Edited by `admin` on `Sat Dec 16 19:02:25 UTC 2023`
Record UNII	Q76KP2H4XW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ODEVIXIBAT SESQUIHYDRATE

Common Name

English

BYLVAY

Brand Name

English

Odevixibat sesquihydrate [WHO-DD]

Common Name

English

BUTANOIC ACID, 2-(((2R)-2-((2-((3,3-DIBUTYL-2,3,4,5-TETRAHYDRO-7-(METHYLTHIO)-1,1-DIOXIDO-5-PHENYL-1,2,5-BENZOTHIADIAZEPIN-8-YL)OXY)ACETYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-, HYDRATE (2:3), (2S)-

Systematic Name

English

Code System Code Type Description

SMS_ID

300000024551