ALMOTRIPTAN MALATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H25N3O2S.C4H6O5
Molecular Weight	469.552
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0
Stereo Comments	MALATE

SHOW SMILES / InChI

Structure of ALMOTRIPTAN MALATE

Structure Search

SMILES

OC(CC(O)=O)C(O)=O.CN(C)CCC1=CNC2=CC=C(CS(=O)(=O)N3CCCC3)C=C12

InChI

InChIKey=QHATUKWEVNMHRY-UHFFFAOYSA-N

InChI=1S/C17H25N3O2S.C4H6O5/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)

HIDE SMILES / InChI

Molecular Formula	C4H6O5
Molecular Weight	134.0874
Charge	0
Count

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

Molecular Formula	C17H25N3O2S
Molecular Weight	335.464
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 `Fri Dec 15 15:55:03 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:03 UTC 2023`
Record UNII	PJP312605E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALMOTRIPTAN MALATE

Official Name

English

LAS-31416 D,L-MALATE ACID

Code

English

ALMOTRIPTAN MALATE [ORANGE BOOK]

Common Name

English

ALMOTRIPTAN MALATE [EP MONOGRAPH]

Common Name

English

LAS-31416-D,L-MALATE-ACID

Code

English

1-(((3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-5-YL)METHYL)SULFONYL)PYRROLIDINE, HYDROXYBUTANEDIOATE (1:1)

Systematic Name

English

ALMOTRIPTAN MALEATE [MI]

Common Name

English

ALMOTRIPTAN MALATE [USAN]

Common Name

English

ALMOTRIPTAN MALEATE

Common Name

English

Almotriptan malate [WHO-DD]

Common Name

English

ALMOTRIPTAN D,L-HYDROGENMALATE

Common Name

English

ALMOTRIPTAN MALATE [USP-RS]

Common Name

English

1-[({3-[2-(Dimethylamino)ethyl]indol-5-yl}methyl)sulfonyl]pyrrolidine malate (1:1)

Systematic Name

English

ALMOTRIPTAN MALATE [VANDF]

Common Name

English

ALMOGRAN

Common Name

English

ALMOTRIPTAN MALATE [USP MONOGRAPH]

Common Name

English

LAS 31416 D,L-MALATE ACID

Code

English

AXERT

Brand Name

English

PNU-180638E

Code

English

ALMOTRIPTAN MALATE [MART.]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47794

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL1505

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

PRIMARY

SMS_ID

100000090447

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

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MERCK INDEX

m1568

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

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Merck Index

CAS

181183-52-8

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

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RXCUI

283792

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

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RxNorm

DRUG BANK

DB00918

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

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NCI_THESAURUS

C61628

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

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USAN

KK-101

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

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WIKIPEDIA

Almotriptan malate

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

PRIMARY

PUBCHEM

123607

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID1044225

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

PRIMARY

EVMPD

SUB20534

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

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DAILYMED

PJP312605E

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

PRIMARY

RS_ITEM_NUM

1013512

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

PRIMARY

FDA UNII

PJP312605E

Created by admin on Fri Dec 15 15:55:04 UTC 2023 , Edited by admin on Fri Dec 15 15:55:04 UTC 2023

PRIMARY

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					817L1N4CKP

PARENT -> SALT/SOLVATE

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					DF936M27UZ

N-METHYL-N-(2-(5-((PYRROLIDINE-1-SULFONYL)METHYL)-1H-INDOL-3-YL)ETHYL)PROPAN-2-AMINE

IMPURITY -> PARENT

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CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

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Amount:


					U9US7T5ZRK

ALMOTRIPTAN DIMER

IMPURITY -> PARENT

Interaction Type:

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Amount:


					9LX8M2H6V5

N-Desmethyl almotriptan

IMPURITY -> PARENT

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IMPURITY -> PARENT

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Amount:


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ALMOTRIPTAN N-OXIDE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					3UR34O2QY9

ALMOTRIPTAN N-DIMER

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					JLA8PUR9UZ

DIDESMETHYL ALMOTRIPTAN

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					43F6EG45A5

(3-(2-(DIMETHYLAMINO)ETHYL)-5-((PYRROLIDINE-1-SULFONYL)METHYL)-1H-INDOL-1-YL)METHANOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					ST89U4Z9GO

1-(((3-(2-(DIMETHYLAMINO)ETHYL)INDOL-5-YL)METHYL)SULFONYL)PYRROLIDINE N-OXIDE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					TN9BT6MB73

SPIROALMOTRIPTAN

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


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3-[2-(Dimethylamino)ethyl]-1,3-dihydro-5-[(1-pyrrolidinylsulfonyl)methyl]-2H-indol-2-one

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:

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ACTIVE MOIETY