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C8912

Sigma-Aldrich

Cocaine free base

Synonym(s):

Ecgonine methyl ester benzoate

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About This Item

Empirical Formula (Hill Notation):
C17H21NO4
CAS Number:
50-36-2
Molecular Weight:
303.35
EC Number:
200-032-7
MDL number:
MFCD00056906
UNSPSC Code:
12352200
PubChem Substance ID:
24893116
NACRES:
NA.77

form

powder

Quality Level

200

drug control

USDEA Schedule II; Home Office Schedule 2; stupéfiant (France); kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada; estupefaciente (Spain); Decreto Lei 15/93: Tabela IB (Portugal)

application(s)

forensics and toxicology

SMILES string

[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c3ccccc3)C(=O)OC)N2C

InChI

1S/C17H21NO4/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/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1

InChI key

ZPUCINDJVBIVPJ-LJISPDSOSA-N

Gene Information

human ... DRD3(1814) , KCNH1(3756) , KCNH2(3757) , SCN10A(6336) , SCN11A(11280) , SCN5A(6331) , SLC6A2(6530) , SLC6A3(6531) , SLC6A4(6532)
mouse ... Slc6a2(20538)
rat ... Chrm1(25229) , Slc6a3(24898) , Slc6a4(25553)

Biochem/physiol Actions

Inhibits the dopamine, norepinephrine, and serotonin transporters with Kis of about 300 nM, 900 nM, and 400 nM, respectively. Unlike amphetamines, it has no effect on catecholamine release.

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Repr. 2 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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