DIDESMETHYL ALMOTRIPTAN HEMIFUMARATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C15H21N3O2S.C4H4O4
Molecular Weight	730.894
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DIDESMETHYL ALMOTRIPTAN HEMIFUMARATE

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.NCCC1=CNC2=CC=C(CS(=O)(=O)N3CCCC3)C=C12.NCCC4=CNC5=CC=C(CS(=O)(=O)N6CCCC6)C=C45

InChI

InChIKey=GQOUKMAOUZYNHJ-WXXKFALUSA-N

InChI=1S/2C15H21N3O2S.C4H4O4/c2*16-6-5-13-10-17-15-4-3-12(9-14(13)15)11-21(19,20)18-7-1-2-8-18;5-3(6)1-2-4(7)8/h2*3-4,9-10,17H,1-2,5-8,11,16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

HIDE SMILES / InChI

Molecular Formula	C15H21N3O2S
Molecular Weight	307.411
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:11:18 UTC 2023` Edited by `admin` on `Sat Dec 16 17:11:18 UTC 2023`
Record UNII	Q7VGA8JXY4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIDESMETHYL ALMOTRIPTAN HEMIFUMARATE

Common Name

English

1H-INDOLE-3-ETHANAMINE, 5-((1-PYRROLIDINYLSULFONYL)METHYL)-, (2E)-2-BUTENEDIOATE (2:1)

Systematic Name

English

2-(5-((PYRROLIDIN-1-YLSULFONYL)METHYL)-1H-INDOL-3-YL)ETHANAMINE HEMIFUMARATE

Systematic Name

English

Code System Code Type Description

FDA UNII

Q7VGA8JXY4

Created by admin on Sat Dec 16 17:11:18 UTC 2023 , Edited by admin on Sat Dec 16 17:11:18 UTC 2023

PRIMARY

RS_ITEM_NUM

1013545

Created by admin on Sat Dec 16 17:11:18 UTC 2023 , Edited by admin on Sat Dec 16 17:11:18 UTC 2023

PRIMARY

PUBCHEM

68426052

Created by admin on Sat Dec 16 17:11:18 UTC 2023 , Edited by admin on Sat Dec 16 17:11:18 UTC 2023

PRIMARY

CAS

1246860-65-0

Created by admin on Sat Dec 16 17:11:18 UTC 2023 , Edited by admin on Sat Dec 16 17:11:18 UTC 2023

NON-SPECIFIC STOICHIOMETRY

Related Record Type Details


					JLA8PUR9UZ

DIDESMETHYL ALMOTRIPTAN

PARENT -> SALT/SOLVATE

Amount: