.BETA.-ISOMETHADOL, (+)-

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 Search

SMILES

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

InChI

InChIKey=UKKMLFPHCPRNJI-XLIONFOSSA-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+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

.BETA.-ISOMETHADOL, (+)-

Common Name

English

(3S,5S)-ISOMETHADOL

Preferred Name

English

BENZENEETHANOL, .BETA.-(2-(DIMETHYLAMINO)-1-METHYLETHYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, (S-(R*,R*))-

Systematic Name

English

ISOMETHADOL .BETA.-D-FORM [MI]

Common Name

English

3-HEXANOL, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, (3S,5S)-(+)-

Systematic Name

English

Code System Code Type Description

FDA UNII

WD3K8R7X98

Created by admin on Mon Mar 31 22:24:45 GMT 2025 , Edited by admin on Mon Mar 31 22:24:45 GMT 2025

PRIMARY

PUBCHEM

12807061

Created by admin on Mon Mar 31 22:24:45 GMT 2025 , Edited by admin on Mon Mar 31 22:24:45 GMT 2025

PRIMARY

CAS

14347-93-4

Created by admin on Mon Mar 31 22:24:45 GMT 2025 , Edited by admin on Mon Mar 31 22:24:45 GMT 2025

PRIMARY

MERCK INDEX

m785

Created by admin on Mon Mar 31 22:24:45 GMT 2025 , Edited by admin on Mon Mar 31 22:24:45 GMT 2025

PRIMARY

Merck Index

SUBSTANCE RECORD


					WD3K8R7X98

.BETA.-ISOMETHADOL, (+)-