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Details

Stereochemistry ACHIRAL
Molecular Formula C17H25N3O2S
Molecular Weight 335.464
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALMOTRIPTAN

SMILES

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

InChI

InChIKey=WKEMJKQOLOHJLZ-UHFFFAOYSA-N
InChI=1S/C17H25N3O2S/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/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3

HIDE SMILES / InChI
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:44:06 UTC 2023
Edited
by admin
on Fri Dec 15 15:44:06 UTC 2023
Record UNII
1O4XL5SN61
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALMOTRIPTAN
INN   MI   USAN   VANDF   WHO-DD  
USAN   INN  
Official Name English
Almotriptan [WHO-DD]
Common Name English
1-[[[3-[2-(Dimethylamino)ethyl]indol-5-yl]methyl]sulfonyl]pyrrolidine
Systematic Name English
ALMOTRIPTAN [USAN]
Common Name English
almotriptan [INN]
Common Name English
LAS-31416
Code English
LAS31416
Code English
ALMOTRIPTAN [VANDF]
Common Name English
ALMOTRIPTAN [MI]
Common Name English
PYRROLIDINE, 1-(((3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-5-YL)METHYL)SULFONYL)-
Systematic Name English
NSC-760092
Code English
Classification Tree Code System Code
WHO-VATC QN02CC05
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
NDF-RT N0000175764
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
NCI_THESAURUS C47794
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
LIVERTOX 27
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
NDF-RT N0000175763
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
NDF-RT N0000175765
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
WHO-ATC N02CC05
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
Code System Code Type Description
CAS
154323-57-6
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
DRUG CENTRAL
128
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
ChEMBL
CHEMBL1505
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
MERCK INDEX
m1568
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB00918
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
IUPHAR
7110
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
RXCUI
279645
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY RxNorm
MESH
C409045
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID5044289
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
WIKIPEDIA
ALMOTRIPTAN
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
FDA UNII
1O4XL5SN61
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
USAN
JJ-24
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
NCI_THESAURUS
C65224
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
EVMPD
SUB05350MIG
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
DAILYMED
1O4XL5SN61
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
NSC
760092
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
INN
7463
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
LACTMED
Almotriptan
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
PUBCHEM
123606
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
CHEBI
520985
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
SMS_ID
100000087462
Created by admin on Fri Dec 15 15:44:06 UTC 2023 , Edited by admin on Fri Dec 15 15:44:06 UTC 2023
PRIMARY
Related Record Type Details
5-HYDROXYTRYPTAMINE RECEPTOR 1D
TARGET -> AGONIST
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of ALMOTRIPTAN
EXCRETED UNCHANGED
AMOUNT EXCRETED
URINE
Structure of ALMOTRIPTAN
EXCRETED UNCHANGED
Approximately 3% of the administered dose is excreted via feces, both unchanged and metabolized.
FECAL
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
5-HYDROXYTRYPTAMINE RECEPTOR 1B
TARGET -> AGONIST
Structure of ALMOTRIPTAN MALATE
SALT/SOLVATE -> PARENT
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
Structure of 1-(((3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-5-YL)METHYL)SULFONYL)-2-PYRROLIDINOL
METABOLITE -> PARENT
Structure of N-Desmethyl almotriptan
METABOLITE -> PARENT
Related Record Type Details
Structure of 4-((1-PYRROLIDINYLSULFONYL)METHYL)BENZENAMINE
IMPURITY -> PARENT
Structure of 1-[[(4-Hydrazinylphenyl)methyl]sulfonyl]pyrrolidine
IMPURITY -> PARENT
Structure of 5-HYDROXYMETHYL-N,N-DIMETHYLTRYPTAMINE
IMPURITY -> PARENT
Related Record Type Details
Structure of ALMOTRIPTAN
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
NIH
NCATS
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