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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21NO
Molecular Weight 207.3124
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEMETHYLTAPENTADOL

SMILES

CC[C@]([H])([C@@]([H])(C)CNC)c1cccc(c1)O

InChI

InChIKey=PQQINTFVECNXLC-GXFFZTMASA-N
InChI=1S/C13H21NO/c1-4-13(10(2)9-14-3)11-6-5-7-12(15)8-11/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H21NO
Molecular Weight 207.3124
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:34:46 UTC 2021
Edited
by admin
on Sat Jun 26 05:34:46 UTC 2021
Record UNII
246I1D7TDL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEMETHYLTAPENTADOL
Common Name English
PHENOL, 3-((1R,2R)-1-ETHYL-2-METHYL-3-(METHYLAMINO)PROPYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71159880
Created by admin on Sat Jun 26 05:34:46 UTC 2021 , Edited by admin on Sat Jun 26 05:34:46 UTC 2021
PRIMARY
FDA UNII
246I1D7TDL
Created by admin on Sat Jun 26 05:34:46 UTC 2021 , Edited by admin on Sat Jun 26 05:34:46 UTC 2021
PRIMARY
CAS
1300037-83-5
Created by admin on Sat Jun 26 05:34:46 UTC 2021 , Edited by admin on Sat Jun 26 05:34:46 UTC 2021
PRIMARY
Related Record Type Details
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