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Promethazine Sulfoxide

CAT: 0572-TRC-P757010-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P757010-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7640-51-9
Synonyms
(2RS)-N,N-Dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine S-Oxide (Promethazine Sulphoxide); (2RS)-N,N-Dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine S-Oxide; Promethazine Hydrochloride Imp. D (EP); Promethazine Sulphoxide; Promethazine Hydrochloride Impurity D; Promethazine Impurity D
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(CN1c2ccccc2S(=O)c3ccccc13)N(C)C
Molecular Formula
C17 H20 N2 O S
Molecular Weight
300.42
InChI
InChI=1S/C17H20N2OS/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)21(20)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
Additionnal Information
IUPAC name: N,N-dimethyl-1-(5-oxophenothiazin-10-yl)propan-2-amine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

10H-Phenothiazine-10-ethanamine, N,N,alpha-trimethyl-, 5-oxide

Promethazine sulfoxide is a member of phenothiazines.

CAS Number7640-51-9
PubChem CID63032
IUPAC NameN,N-dimethyl-1-(5-oxophenothiazin-10-yl)propan-2-amine
Molecular FormulaC17H20N2OS
Molecular Weight300.4
XLogP3.5
Topological Polar Surface Area53.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity361
SMILES
CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)N(C)C
InChI
InChI=1S/C17H20N2OS/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)21(20)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
InChIKey
OWTCLFIFAFHQIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10H-Phenothiazine-10-ethanamine, N,N,alpha-trimethyl-, 5-oxide
CAS: 7640-51-9
CID: 63032
Formula: C17H20N2OS
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass300.12963444
Monoisotopic Mass300.12963444
Topological Polar Surface Area53.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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