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Ranitidine-d6

CAT: 0926-KXB51483-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-KXB51483-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185514-83-3
Smiles
CNC (=C[N+] (=O) [O-]) NCCSCC1=CC=C (O1) CN (C) C
Molecular Formula
C13H22N4O3S
Molecular Weight
320.44 g/mol
Controlled
No

Chemical Information

Ranitidine-d6
CAS Number1185514-83-3
PubChem CID45040341
IUPAC Name(E)-1-N'-[2-[[5-[[bis(trideuteriomethyl)amino]methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
Molecular FormulaC13H22N4O3S
Molecular Weight320.44
XLogP0.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity347
SMILES
[2H]C([2H])([2H])N(CC1=CC=C(O1)CSCCN/C(=C/[N+](=O)[O-])/NC)C([2H])([2H])[2H]
InChI
InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+/i2D3,3D3
InChIKey
VMXUWOKSQNHOCA-RUESZMOGSA-N
Chemical Structure
2D Structure
2D structure of Ranitidine-d6
CAS: 1185514-83-3
CID: 45040341
Formula: C13H22N4O3S
MW: 320.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.44
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass320.17892223
Monoisotopic Mass320.17892223
Topological Polar Surface Area112 Ų
Heavy Atom Count21
Formal Charge0
Complexity347
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-R119997-1MGRanitidine-d6
R1074-02-01Ranitidine-d6, Hydrochloride
TRC-R120002-5MGRanitidine-d6 Hydrochloride
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HY-B0281ASRanitidine-d6 (hydrochloride)
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sc-500401Demethylamino ranitidine-d6 acetamide sodium
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