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Promethazine hydrochloride

CAT: 0127-BUP19612-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
58-33-3
Synonyms
Promethazine HCl, Phenergan
Purity
=95%
Smiles
Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C

Chemical Information

Promethazine Hydrochloride

Promethazine hydrochloride is the hydrochloride salt of promethazine. It has a role as an anticoronaviral agent, a geroprotector, a sedative, a local anaesthetic, a H1-receptor antagonist, an anti-allergic agent, an antiemetic and an antipruritic drug. It contains a promethazine(1+).

CAS Number58-33-3
PubChem CID6014
IUPAC NameN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrochloride
Molecular FormulaC17H21ClN2S
Molecular Weight320.9
Topological Polar Surface Area31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity298
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl
InChI
InChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H
InChIKey
XXPDBLUZJRXNNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Promethazine Hydrochloride
CAS: 58-33-3
CID: 6014
Formula: C17H21ClN2S
MW: 320.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass320.1113975
Monoisotopic Mass320.1113975
Topological Polar Surface Area31.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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