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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25NO
Molecular Weight 271.3972
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEPINALONE, (S)-

SMILES

C[C@@]2(CCN1CCCCC1)C(=O)CCC3=C2C=CC=C3

InChI

InChIKey=RVXGRCNWGOHSDE-SFHVURJKSA-N
InChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H25NO
Molecular Weight 271.3972
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:45:10 GMT 2023
Edited
by admin
on Sat Dec 16 11:45:10 GMT 2023
Record UNII
XCR81K70CC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEPINALONE, (S)-
Common Name English
2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-1-METHYL-1-(2-(1-PIPERIDINYL)ETHYL)-, (S)-
Systematic Name English
2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-1-METHYL-1-(2-(1-PIPERIDINYL)ETHYL)-, (1S)-
Systematic Name English
Code System Code Type Description
FDA UNII
XCR81K70CC
Created by admin on Sat Dec 16 11:45:10 GMT 2023 , Edited by admin on Sat Dec 16 11:45:10 GMT 2023
PRIMARY
CAS
1352043-35-6
Created by admin on Sat Dec 16 11:45:10 GMT 2023 , Edited by admin on Sat Dec 16 11:45:10 GMT 2023
PRIMARY
PUBCHEM
56944014
Created by admin on Sat Dec 16 11:45:10 GMT 2023 , Edited by admin on Sat Dec 16 11:45:10 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER