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7-Hydroxy Prochlorperazine

CAT: 1596-AR-P02867-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02867-01Size:10 Units
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CAS Number
52172-19-7
Synonyms
8-chloro-10- (3- (4-methylpiperazin-1-yl) propyl) -10H-phenothiazin-3-ol
Molecular Formula
C20H24ClN3OS
Molecular Weight
389.95
API Name
Prochlorperazine

Chemical Information

7-Hydroxyprochlorperazine

7-hydroxyprochlorperazine is a member of phenothiazines.

CAS Number52172-19-7
PubChem CID12333094
IUPAC Name8-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-3-ol
Molecular FormulaC20H24ClN3OS
Molecular Weight389.9
XLogP4.5
Topological Polar Surface Area55.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity462
SMILES
CN1CCN(CC1)CCCN2C3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H24ClN3OS/c1-22-9-11-23(12-10-22)7-2-8-24-17-5-4-16(25)14-20(17)26-19-6-3-15(21)13-18(19)24/h3-6,13-14,25H,2,7-12H2,1H3
InChIKey
BRUHMTGXYBUCRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxyprochlorperazine
CAS: 52172-19-7
CID: 12333094
Formula: C20H24ClN3OS
MW: 389.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight389.9
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass389.1328613
Monoisotopic Mass389.1328613
Topological Polar Surface Area55.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes