.ALPHA.-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-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

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 08:58:23 GMT 2023` Edited by `admin` on `Sat Dec 16 08:58:23 GMT 2023`
Record UNII	3K09W5X3QN
Record Status	`Validated (UNII)`
Record Version

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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

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

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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

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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

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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

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Merck Index