COCAINE BORATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H21NO4.BH3O3
Molecular Weight	365.186
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZBDPRNDGRCEKTB-VZXSFKIWSA-N

InChI=1S/C17H21NO4.BH3O3/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-15H,8-10H2,1-2H3;2-4H/t12-,13+,14-,15+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	BH3O3
Molecular Weight	61.833
Charge	0
Count

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

Molecular Formula	C17H21NO4
Molecular Weight	303.3529
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 11:10:48 UTC 2023` Edited by `admin` on `Sat Dec 16 11:10:48 UTC 2023`
Record UNII	2RT6KC9AZ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COCAINE BORATE

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, (1R-(EXO,EXO))-, COMPD. WITH BORIC ACID (H3BO3)

Systematic Name

English

BORIC ACID, COMPD. WITH COCAINE

Common Name

English

1.ALPHA.H,5.ALPHA.H-TROPANE-2.BETA.-CARBOXYLIC ACID, 3.BETA.-HYDROXY-, METHYL ESTER, BENZOATE (ESTER), BORATE

Common Name

English

BORIC ACID (H3BO3), COMPD. WITH (1R-(EXO,EXO))-METHYL 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLATE

Common Name

English

Code System Code Type Description

CAS

6696-60-2

Created by admin on Sat Dec 16 11:10:48 UTC 2023 , Edited by admin on Sat Dec 16 11:10:48 UTC 2023

PRIMARY

PUBCHEM

167713242

Created by admin on Sat Dec 16 11:10:48 UTC 2023 , Edited by admin on Sat Dec 16 11:10:48 UTC 2023

PRIMARY

FDA UNII

2RT6KC9AZ6

Created by admin on Sat Dec 16 11:10:48 UTC 2023 , Edited by admin on Sat Dec 16 11:10:48 UTC 2023

PRIMARY

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