N-Desmethyl almotriptan oxalic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H23N3O2S.C2H2O4
Molecular Weight	411.473
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Desmethyl almotriptan oxalic acid

Structure Search

SMILES

OC(=O)C(O)=O.CNCCC1=CNC2=CC=C(CS(=O)(=O)N3CCCC3)C=C12

InChI

InChIKey=QVBVHDIQNGNXSR-UHFFFAOYSA-N

InChI=1S/C16H23N3O2S.C2H2O4/c1-17-7-6-14-11-18-16-5-4-13(10-15(14)16)12-22(20,21)19-8-2-3-9-19;3-1(4)2(5)6/h4-5,10-11,17-18H,2-3,6-9,12H2,1H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula	C16H23N3O2S
Molecular Weight	321.438
Charge	0
Count

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

Molecular Formula	C2H2O4
Molecular Weight	90.0349
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 `Wed Apr 02 16:03:48 GMT 2025` Edited by `admin` on `Wed Apr 02 16:03:48 GMT 2025`
Record UNII	K37SD9L24Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-Desmethyl almotriptan oxalic acid

Common Name

English

1H-Indole-3-ethanamine, N-methyl-5-[(1-pyrrolidinylsulfonyl)methyl]-, ethanedioate (1:1)

Preferred Name

English

Pyrrolidine, 1-[[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]-, ethanedioate (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

K37SD9L24Z

Created by admin on Wed Apr 02 16:03:48 GMT 2025 , Edited by admin on Wed Apr 02 16:03:48 GMT 2025

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CAS

334981-35-0

Created by admin on Wed Apr 02 16:03:48 GMT 2025 , Edited by admin on Wed Apr 02 16:03:48 GMT 2025

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PUBCHEM

90384505

Created by admin on Wed Apr 02 16:03:48 GMT 2025 , Edited by admin on Wed Apr 02 16:03:48 GMT 2025

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Related Record Type Details


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N-Desmethyl almotriptan

PARENT -> SALT/SOLVATE

Amount: