ELOBIXIBAT MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H45N3O7S2.H2O
Molecular Weight	713.904
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CCCCC1(CCCC)CN(C2=CC=CC=C2)C3=C(C=C(OCC(=O)N[C@@H](C(=O)NCC(O)=O)C4=CC=CC=C4)C(SC)=C3)S(=O)(=O)C1

InChI

InChIKey=VARDBGNECHECBX-MDYNBEAQSA-N

InChI=1S/C36H45N3O7S2.H2O/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42;/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42);1H2/t34-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C36H45N3O7S2
Molecular Weight	695.888
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:16:34 UTC 2023` Edited by `admin` on `Sat Dec 16 16:16:34 UTC 2023`
Record UNII	C8YTS56FNG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELOBIXIBAT MONOHYDRATE

Common Name

English

GLYCINE, (2R)-N-(2-((3,3-DIBUTYL-2,3,4,5-TETRAHYDRO-7-(METHYLTHIO)-1,1-DIOXIDO-5-PHENYL-1,5-BENZOTHIAZEPIN-8-YL)OXY)ACETYL)-2-PHENYLGLYCYL-, HYDRATE (1:1)

Systematic Name

English

ELOBIXIBAT HYDRATE [JAN]

Common Name

English

ELOBIXIBAT HYDRATE [MI]

Common Name

English

ELOBIXIBAT HYDRATE

Common Name

English

Code System Code Type Description

CAS

1633824-78-8