Opromazine hydrochloride

CAT: 0127-BUP08506-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08506-01Size:5 mg

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CAS Number

316-07-4

Purity

=95%

Smiles

CN(C)CCCN(c1c2cccc1)c(cc(cc1)Cl)c1S2=O.Cl

Chemical Information

Opromazine hydrochloride

CAS Number	316-07-4
PubChem CID	24182517
IUPAC Name	3-(2-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
Molecular Formula	C17H20Cl2N2OS
Molecular Weight	371.3
Topological Polar Surface Area	53.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	406

SMILES

CN(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl.Cl

InChI

InChI=1S/C17H19ClN2OS.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H

InChIKey

VWLMLCOTJLYYST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 316-07-4

CID: 24182517

Formula: C17H20Cl2N2OS

MW: 371.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	370.0673398
Monoisotopic Mass	370.0673398
Topological Polar Surface Area	53.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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