COCAINE METHIODIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24NO4.I
Molecular Weight	445.2919
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[I-].COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)[N+]2(C)C

InChI

InChIKey=NUJUJJCMBQWIFW-JRJWNBDDSA-M

InChI=1S/C18H24NO4.HI/c1-19(2)13-9-10-14(19)16(18(21)22-3)15(11-13)23-17(20)12-7-5-4-6-8-12;/h4-8,13-16H,9-11H2,1-3H3;1H/q+1;/p-1/t13-,14+,15-,16+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C18H24NO4
Molecular Weight	318.3875
Charge	1
Count

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

Molecular Formula	HI
Molecular Weight	127.9124
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:33:00 UTC 2023` Edited by `admin` on `Sat Dec 16 08:33:00 UTC 2023`
Record UNII	83FKO5XD6J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COCAINE METHIODIDE

Common Name

English

(-)-COCAINE METHIODIDE

Common Name

English

8-AZONIABICYCLO(3.2.1)OCTANE, 3-(BENZOYLOXY)-2-(METHOXYCARBONYL)-8,8-DIMETHYL-, IODIDE (1:1), (1R,2R,3S,5S)-

Systematic Name

English

1.ALPHA.H,5.ALPHA.H-TROPANIUM, 2.BETA.-CARBOXY-3.BETA.-HYDROXY-8-METHYL-, IODIDE, METHYL ESTER, BENZOATE

Common Name

English

Code System Code Type Description

PUBCHEM

83828