2'-Acetoxycocaine Hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23NO6.ClH
Molecular Weight	397.85
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2'-Acetoxycocaine Hydrochloride

Structure Search

SMILES

Cl.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3OC(C)=O)N2C

InChI

InChIKey=MSQVLVWUUXAUIA-JEPXCHOCSA-N

InChI=1S/C19H23NO6.ClH/c1-11(21)25-15-7-5-4-6-13(15)18(22)26-16-10-12-8-9-14(20(12)2)17(16)19(23)24-3;/h4-7,12,14,16-17H,8-10H2,1-3H3;1H/t12-,14+,16-,17+;/m0./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	C19H23NO6
Molecular Weight	361.389
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:48:34 GMT 2025` Edited by `admin` on `Wed Apr 02 15:48:34 GMT 2025`
Record UNII	WP5SH5G4TH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2'-Acetoxycocaine Hydrochloride

Common Name

English

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-, methyl ester, hydrochloride (1:1), (1R,2R,3S,5S)-

Preferred Name

English

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-, methyl ester, hydrochloride, [1R-(exo,exo)]-

Systematic Name

English

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-, methyl ester, hydrochloride, (1R,2R,3S,5S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

WP5SH5G4TH

Created by admin on Wed Apr 02 15:48:34 GMT 2025 , Edited by admin on Wed Apr 02 15:48:34 GMT 2025

PRIMARY

PUBCHEM

171382686

Created by admin on Wed Apr 02 15:48:34 GMT 2025 , Edited by admin on Wed Apr 02 15:48:34 GMT 2025

PRIMARY

CAS

197771-75-8

Created by admin on Wed Apr 02 15:48:34 GMT 2025 , Edited by admin on Wed Apr 02 15:48:34 GMT 2025

PRIMARY

Related Record Type Details


					R3WS363295

2'-ACETOXYCOCAINE

PARENT -> SALT/SOLVATE

Amount: