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About This Item
Empirical Formula (Hill Notation):
C21H27N3 ·2HCl · H2O
CAS Number:
Molecular Weight:
412.40
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
assay
97%
SMILES string
Cl[H].Cl[H].[H]O[H].C[C@@H]1CN(CCCn2c3ccccc3c4ccccc24)C[C@H](C)N1
InChI
1S/C21H27N3.2ClH.H2O/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24;;;/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3;2*1H;1H2/t16-,17+;;;
InChI key
KBDPRNVDBYQTMS-HHIRZUMWSA-N
Gene Information
human ... DRD3(1814)
rat ... Slc6a2(20538), Slc6a3(24898), Slc6a4(25553)
Biochem/physiol Actions
Cocaine antagonist
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Barbara Miziak et al.
Frontiers in endocrinology, 11, 541802-541802 (2020-10-30)
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