Desmethylraclopride

CAT: 0024-sc-300423Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-300423Size:5 mg

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CAS Number

119670-11-0

Chemical Information

Desmethylraclopride

CAS Number	119670-11-0
PubChem CID	10947574
IUPAC Name	3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dihydroxybenzamide
Molecular Formula	C14H18Cl2N2O3
Molecular Weight	333.2
XLogP	3.1
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	358

SMILES

CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2O)Cl)Cl)O

InChI

InChI=1S/C14H18Cl2N2O3/c1-2-18-5-3-4-8(18)7-17-14(21)11-12(19)9(15)6-10(16)13(11)20/h6,8,19-20H,2-5,7H2,1H3,(H,17,21)/t8-/m0/s1

InChIKey

DPQOMEPZWBXAMA-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 119670-11-0

CID: 10947574

Formula: C14H18Cl2N2O3

MW: 333.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.2
XLogP3	3.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	332.0694478
Monoisotopic Mass	332.0694478
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	358
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-D298378-50MG	Desmethylraclopride
464933-01	S- (+) -O-Desmethylraclopride Hydrobromide