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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29NO
Molecular Weight 311.4611
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-ISOMETHADOL, (+)-

SMILES

CC[C@H](O)C([C@@H](C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=UKKMLFPHCPRNJI-PXNSSMCTSA-N
InChI=1S/C21H29NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-ISOMETHADOL, (+)-
Common Name English
.ALPHA.-ISOMETHADOL
Common Name English
BENZENEETHANOL, .BETA.-((1R)-2-(DIMETHYLAMINO)-1-METHYLETHYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, (.ALPHA.S)-
Systematic Name English
ISOMETHADOL .ALPHA.-D-FORM [MI]
Common Name English
ISOMETHADOL .ALPHA.-D-FORM
MI  
Common Name English
3-HEXANOL, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, (3S,5R)-(+)-
Systematic Name English
(3S,5R)-ISOMETHADOL
Common Name English
Code System Code Type Description
PUBCHEM
12807062
Created by admin on Sat Dec 16 08:58:23 GMT 2023 , Edited by admin on Sat Dec 16 08:58:23 GMT 2023
PRIMARY
CAS
26533-05-1
Created by admin on Sat Dec 16 08:58:23 GMT 2023 , Edited by admin on Sat Dec 16 08:58:23 GMT 2023
PRIMARY
FDA UNII
3K09W5X3QN
Created by admin on Sat Dec 16 08:58:23 GMT 2023 , Edited by admin on Sat Dec 16 08:58:23 GMT 2023
PRIMARY
MERCK INDEX
m785
Created by admin on Sat Dec 16 08:58:23 GMT 2023 , Edited by admin on Sat Dec 16 08:58:23 GMT 2023
PRIMARY Merck Index