DESVENLAFAXINE FUMARATE MONOHYDRATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H25NO2.C4H4O4.H2O
Molecular Weight	397.4626
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DESVENLAFAXINE FUMARATE MONOHYDRATE

Structure Search

SMILES

O.OC(=O)\C=C\C(O)=O.CN(C)CC(C1=CC=C(O)C=C1)C2(O)CCCCC2

InChI

InChIKey=YETWCSLOYUZBLK-JITBQSAISA-N

InChI=1S/C16H25NO2.C4H4O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C16H25NO2
Molecular Weight	263.3752
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

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 01:28:48 UTC 2023` Edited by `admin` on `Sat Dec 16 01:28:48 UTC 2023`
Record UNII	R5JHD7L72A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESVENLAFAXINE FUMARATE MONOHYDRATE

Common Name

English

O-DESMETHYLVENLAFAXINE FUMARATE MONOHYDRATE

Common Name

English

PHENOL, 4-(2-(DIMETHYLAMINO)-1-(1-HYDROXYCYCLOHEXYL)ETHYL)-, (2E)-2-BUTENEDIOATE (1:1) (SALT), MONOHYDRATE

Common Name

English

DESVENLAFAXINE FUMARATE MONOHYDRATE [MI]

Common Name

English

Code System Code Type Description

CAS

313471-75-9