2'-ACETOXYCOCAINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23NO6
Molecular Weight	361.389
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BGTCUQCBSAMJBH-JSQNDZKTSA-N

InChI=1S/C19H23NO6/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/t12-,14+,16-,17+/m0/s1

HIDE SMILES / InChI

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 `Sat Dec 16 17:30:26 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:26 GMT 2023`
Record UNII	R3WS363295
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-ACETOXYCOCAINE

Common Name

English

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

Systematic Name

English

METHYL (1R,2R,3S,5S)-3-((2-(ACETYLOXY)BENZOYL)OXY)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLATE

Systematic Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-((2-(ACETYLOXY)BENZOYL)OXY)-8-METHYL-, METHYL ESTER, (1R-(EXO,EXO))-

Systematic Name

English

Code System Code Type Description

CAS

192648-66-1