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7-Hydroxy Chlorpromazine

CAT: 0024-sc-490016Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-490016Size:2.5 mg
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CAS Number
51938-11-5

Chemical Information

7-Hydroxy Chlorpromazine Hydrochloride
CAS Number51938-11-5
PubChem CID131668055
IUPAC Name8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-ol;hydrochloride
Molecular FormulaC17H20Cl2N2OS
Molecular Weight371.3
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity371
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl.Cl
InChI
InChI=1S/C17H19ClN2OS.ClH/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20;/h4-7,10-11,21H,3,8-9H2,1-2H3;1H
InChIKey
OTIORHLXOLCOAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxy Chlorpromazine Hydrochloride
CAS: 51938-11-5
CID: 131668055
Formula: C17H20Cl2N2OS
MW: 371.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight371.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass370.0673398
Monoisotopic Mass370.0673398
Topological Polar Surface Area52 Ų
Heavy Atom Count23
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes