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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31NO2.ClH
Molecular Weight 389.959
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-ACETYLMETHADOL HYDROCHLORIDE

SMILES

Cl.CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=UXBPQRGCVJOTNT-TVNLMDKXSA-N
InChI=1S/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H31NO2
Molecular Weight 353.4977
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 18:59:32 UTC 2023
Edited
by admin
on Sat Dec 16 18:59:32 UTC 2023
Record UNII
3SA3GLL5HG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-ACETYLMETHADOL HYDROCHLORIDE
Common Name English
BENZENEETHANOL, .BETA.-((2R)-2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, 1-ACETATE, HYDROCHLORIDE (1:1), (.ALPHA.R)-
Systematic Name English
BENZENEETHANOL, .BETA.-(2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, ACETATE (ESTER), HYDROCHLORIDE, (R-(R*,R*))-
Common Name English
(+)-.ALPHA.-ACETYLMETHADOL HYDROCHLORIDE
Common Name English
.ALPHA.-D-ACETYLMETHADOL HYDROCHLORIDE
Common Name English
((3R,6R)-6-(DIMETHYLAMINO)-4,4-DIPHENYLHEPTAN-3-YL) ACETATE;HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
3SA3GLL5HG
Created by admin on Sat Dec 16 18:59:32 UTC 2023 , Edited by admin on Sat Dec 16 18:59:32 UTC 2023
PRIMARY
PUBCHEM
201444
Created by admin on Sat Dec 16 18:59:32 UTC 2023 , Edited by admin on Sat Dec 16 18:59:32 UTC 2023
PRIMARY
CAS
53757-35-0
Created by admin on Sat Dec 16 18:59:32 UTC 2023 , Edited by admin on Sat Dec 16 18:59:32 UTC 2023
PRIMARY
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