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About This Item

Empirical Formula (Hill Notation):
C18H18ClN3O · C4H6O4
CAS Number:
27833-64-3
Molecular Weight:
445.90
EC Number:
248-682-0
MDL number:
MFCD00069298
UNSPSC Code:
12352200
PubChem Substance ID:
24277719
NACRES:
NA.77
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form

solid

Quality Level

100

color

white

solubility

H2O: soluble

originator

Watson

SMILES string

CN(CC1)CCN1C2=NC3=C(C=CC=C3)OC4=C2C=C(Cl)C=C4.OC(CCC(O)=O)=O

InChI

1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)

InChI key

YQZBAXDVDZTKEQ-UHFFFAOYSA-N

Gene Information

human ... DRD2(1813), DRD3(1814), DRD4(1815), HTR2A(3356), HTR2B(3357), HTR2C(3358), HTR7(3363)

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Biochem/physiol Actions

D2/D4 dopamine receptor antagonist; 5-HT2A/2B, 5-H7 serotonin receptor antagonist; dibenzoxazepine antipsychotic agent.

Features and Benefits

This compound was developed by Watson. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH0822
BCCG7141
BCBT9175
BCBP7940V
BCBN6090V

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