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Details

Stereochemistry RACEMIC
Molecular Formula C21H25NO2
Molecular Weight 323.4287
Optical Activity ( + / - )
Defined Stereocenters 2 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 7,8-DIHYDRODIOLNAFTIFINE

SMILES

CN(C\C=C\C1=CC=CC=C1)CC2=CC=CC3C=C[C@H](O)[C@@H](O)C23

InChI

InChIKey=XIDYIQKQHRXRFP-CUVPQAMQSA-N
InChI=1S/C21H25NO2/c1-22(14-6-9-16-7-3-2-4-8-16)15-18-11-5-10-17-12-13-19(23)21(24)20(17)18/h2-13,17,19-21,23-24H,14-15H2,1H3/b9-6+/t17?,19-,20?,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H25NO2
Molecular Weight 323.4287
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 2 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:09:40 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:40 GMT 2023
Record UNII
2T85R7F15R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,8-DIHYDRODIOLNAFTIFINE
Common Name English
1,2-NAPHTHALENEDIOL, 1,2-DIHYDRO-8-((METHYL(3-PHENYL-2-PROPENYL)AMINO)METHYL)-, (1.ALPHA.,2.BETA.,8(E))-
Systematic Name English
Code System Code Type Description
FDA UNII
2T85R7F15R
Created by admin on Sat Dec 16 09:09:40 GMT 2023 , Edited by admin on Sat Dec 16 09:09:40 GMT 2023
PRIMARY
CAS
102141-02-6
Created by admin on Sat Dec 16 09:09:40 GMT 2023 , Edited by admin on Sat Dec 16 09:09:40 GMT 2023
PRIMARY
PUBCHEM
91668150
Created by admin on Sat Dec 16 09:09:40 GMT 2023 , Edited by admin on Sat Dec 16 09:09:40 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE