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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H11NO
Molecular Weight 185.2218
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-Dihydro-3-(2-propyn-1-ylamino)-1H-inden-1-one, (3R)-

SMILES

O=C1C[C@@H](NCC#C)C2=C1C=CC=C2

InChI

InChIKey=NMRXLQWLAGHNGU-LLVKDONJSA-N
InChI=1S/C12H11NO/c1-2-7-13-11-8-12(14)10-6-4-3-5-9(10)11/h1,3-6,11,13H,7-8H2/t11-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2,3-Dihydro-3-(2-propyn-1-ylamino)-1H-inden-1-one, (3R)-
Systematic Name English
3-KETO-PAI
Common Name English
RASAGILINE METABOLITE, 3-KETO-PAI
Common Name English
(3R)-2,3-Dihydro-3-(2-propyn-1-ylamino)-1H-inden-1-one
Systematic Name English
1H-Inden-1-one, 2,3-dihydro-3-(2-propyn-1-ylamino)-, (3R)-
Systematic Name English
Code System Code Type Description
FDA UNII
AWC4KM8D9M
Created by admin on Sat Dec 16 14:38:10 GMT 2023 , Edited by admin on Sat Dec 16 14:38:10 GMT 2023
PRIMARY
CAS
1312077-05-6
Created by admin on Sat Dec 16 14:38:10 GMT 2023 , Edited by admin on Sat Dec 16 14:38:10 GMT 2023
PRIMARY
PUBCHEM
53250749
Created by admin on Sat Dec 16 14:38:10 GMT 2023 , Edited by admin on Sat Dec 16 14:38:10 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of RASAGILINE
NIH
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