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Promethazine Sulfoxide-d6

CAT: 0572-TRC-P757012-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P757012-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189892-93-0
Synonyms
N,N,-Di(methyl-d6),α-methyl-10H-phenothiazine-10-ethanamine 5-Oxide; N-[2-(Dimethyl-d6-amino)propyl]phenothiazine S-Oxide; Promethazine 5-Oxide-d6; Promethazine 5-Sulfoxide-d6; Romergan Sulfoxide-d6;
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(N(C([2H])([2H])[2H])C([2H])([2H])[2H])CN1C2=C(C=CC=C2)S(C3=CC=CC=C31)=O
Molecular Formula
C17H14D6N2OS
Molecular Weight
306.46
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Promethazine Sulfoxide-d6
CAS Number1189892-93-0
PubChem CID45040274
IUPAC Name1-(5-oxophenothiazin-10-yl)-N,N-bis(trideuteriomethyl)propan-2-amine
Molecular FormulaC17H20N2OS
Molecular Weight306.5
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
[2H]C([2H])([2H])N(C(C)CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)C([2H])([2H])[2H]
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/i2D3,3D3
InChIKey
OWTCLFIFAFHQIX-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of Promethazine Sulfoxide-d6
CAS: 1189892-93-0
CID: 45040274
Formula: C17H20N2OS
MW: 306.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.5
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass306.16729491
Monoisotopic Mass306.16729491
Topological Polar Surface Area53.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity361
Isotope Atom Count6
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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