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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17N
Molecular Weight 187.2808
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SELEGILINE

SMILES

C[C@H](CC1=CC=CC=C1)N(C)CC#C

InChI

InChIKey=MEZLKOACVSPNER-GFCCVEGCSA-N
InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1

HIDE SMILES / InChI
Molecular Formula C13H17N
Molecular Weight 187.2808
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:51:21 UTC 2023
Edited
by admin
on Sat Dec 16 16:51:21 UTC 2023
Record UNII
2K1V7GP655
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SELEGILINE
INN   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
SELEGILINE [ORANGE BOOK]
Common Name English
Selegiline [WHO-DD]
Common Name English
SELEGILINE [VANDF]
Common Name English
EMSAM
Brand Name English
SELEGILINE [MI]
Common Name English
selegiline [INN]
Common Name English
BENZENEETHANAMINE, N,.ALPHA.-METHYL-N-2-PROPYNYL-, (.ALPHA.R)-
Common Name English
(-)-(N)-METHYL-N-((1R)-1-METHYL-2-PHENYLETHYL)PROP-2-YN-1-AMINE
Common Name English
L-SELEGILINE
Common Name English
SELEGILINE [USAN]
Common Name English
Classification Tree Code System Code
NDF-RT N0000175761
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
NDF-RT N0000175762
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
WHO-VATC QN04BD01
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
CFR 21 CFR 520.2098
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
WHO-ATC N04BD01
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
NCI_THESAURUS C667
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
NDF-RT N0000175744
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
NDF-RT N0000000184
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
WHO-VATC QN06AX90
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
LIVERTOX NBK548891
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
Code System Code Type Description
DRUG BANK
DB01037
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
SMS_ID
100000084107
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID6023575
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
NCI_THESAURUS
C61938
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
EVMPD
SUB10474MIG
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
FDA UNII
2K1V7GP655
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
RXCUI
9639
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY RxNorm
DAILYMED
2K1V7GP655
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
CHEBI
50217
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
WIKIPEDIA
SELEGILINE
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
PUBCHEM
26757
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
CHEBI
9086
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
CAS
14611-51-9
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
DRUG CENTRAL
2429
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
MERCK INDEX
m9835
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY Merck Index
EVMPD
SUB127352
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
LACTMED
Selegiline
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
MESH
D012642
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
INN
4436
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
USAN
QQ-25
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
IUPHAR
6639
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL972
Created by admin on Sat Dec 16 16:51:23 UTC 2023 , Edited by admin on Sat Dec 16 16:51:23 UTC 2023
PRIMARY
Related Record Type Details
Structure of SELEGILINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
CYTOCHROME P450 1A2
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 2B6
METABOLIC ENZYME -> SUBSTRATE
MAJOR
CYTOCHROME P450 3A5
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 2C9
METABOLIC ENZYME -> SUBSTRATE
MAJOR
CYTOCHROME P450 2C19
METABOLIC ENZYME -> SUBSTRATE
MAJOR
Structure of SELEGILINE
EXCRETED UNCHANGED
AMOUNT EXCRETED
URINE
Structure of L-DEPRENYL-D2 C-11
LABELED -> NON-LABELED
CYTOCHROME P450 2A6
METABOLIC ENZYME -> SUBSTRATE
MINOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MAJOR
Related Record Type Details
Structure of METHAMPHETAMINE
METABOLITE -> PARENT
average over 48 hours
MAJOR
URINE
Structure of Desmethylselegiline
METABOLITE LESS ACTIVE -> PARENT
MAJOR
PLASMA
Structure of METHAMPHETAMINE
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of 4-((2R)-2-(2-PROPYN-1-YLAMINO)PROPYL)PHENOL
METABOLITE -> PARENT
Structure of HYDROXYAMPHETAMINE, (R)-
METABOLITE -> PARENT
Structure of LEVMETAMFETAMINE
METABOLITE -> PARENT
IN-VIVO
URINE
Related Record Type Details
Structure of SELEGILINE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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