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Brompromazine Hydrochloride

CAT: 0572-TRC-B689235-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B689235-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15502-93-9
Synonyms
2-Bromo-N,N-dimethyl-10H-phenothiazine-10-propanamine Hydrochloride,2-Bromo-10-[3-(dimethylamino)propyl]phenothiazine Hydrochloride,
Hazard Statement
No Data Available
Smiles
BrC1=CC=C2SC3=C(N(CCCN(C)C)C2=C1)C=CC=C3.Cl
Molecular Formula
C17H19BrN2S.HCl
Molecular Weight
399.78
InChI
InChI=1S/C17H19BrN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
Additionnal Information
IUPAC name: 3-(2-bromo-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Brompromazine Hydrochloride
CAS Number15502-93-9
PubChem CID131699170
IUPAC Name3-(2-bromophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
Molecular FormulaC17H20BrClN2S
Molecular Weight399.8
Topological Polar Surface Area31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity339
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Br.Cl
InChI
InChI=1S/C17H19BrN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
InChIKey
INFJFTNMIZQSPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brompromazine Hydrochloride
CAS: 15502-93-9
CID: 131699170
Formula: C17H20BrClN2S
MW: 399.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass398.02191
Monoisotopic Mass398.02191
Topological Polar Surface Area31.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity339
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

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