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Details

Stereochemistry RACEMIC
Molecular Formula C21H29NO
Molecular Weight 311.4611
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-ISOMETHADOL, (±)-

SMILES

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

InChI

InChIKey=UKKMLFPHCPRNJI-FXAWDEMLSA-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

Molecular Formula C21H29NO
Molecular Weight 311.4611
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:58:24 GMT 2023
Edited
by admin
on Sat Dec 16 08:58:24 GMT 2023
Record UNII
KIK192PQ3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-ISOMETHADOL, (±)-
Common Name English
ISOMETHADOL .BETA.-DL-FORM [MI]
Common Name English
3-HEXANOL, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, (3RS,5RS)-(±)-
Systematic Name English
(3RS,5RS)-ISOMETHADOL
Common Name English
Code System Code Type Description
FDA UNII
KIK192PQ3G
Created by admin on Sat Dec 16 08:58:24 GMT 2023 , Edited by admin on Sat Dec 16 08:58:24 GMT 2023
PRIMARY
PUBCHEM
12807063
Created by admin on Sat Dec 16 08:58:24 GMT 2023 , Edited by admin on Sat Dec 16 08:58:24 GMT 2023
PRIMARY
MERCK INDEX
m785
Created by admin on Sat Dec 16 08:58:24 GMT 2023 , Edited by admin on Sat Dec 16 08:58:24 GMT 2023
PRIMARY Merck Index