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Ranitidine-d6 Hydrochloride

CAT: 0572-TRC-R120002-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R120002-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185238-09-8
Synonyms
Ranitidine-D6 Hydrochloride
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Cl.[2H]C([2H])([2H])N(Cc1oc(CSCCNC(=C[N+](=O)[O-])NC)cc1)C([2H])([2H])[2H]
Molecular Formula
C13 2H6 H16 N4 O3 S . Cl H
Molecular Weight
356.9
InChI
InChI=1S/C13H22N4O3S.ClH/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;1H/i2D3,3D3;
Additionnal Information
IUPAC name: 1-N'-[2-[[5-[[bis(trideuteriomethyl)amino]methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ranitidine-d6 Hydrochloride
CAS Number1185238-09-8
PubChem CID45040340
IUPAC Name(E)-1-N'-[2-[[5-[[bis(trideuteriomethyl)amino]methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochloride
Molecular FormulaC13H23ClN4O3S
Molecular Weight356.90
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity347
SMILES
[2H]C([2H])([2H])N(CC1=CC=C(O1)CSCCN/C(=C/[N+](=O)[O-])/NC)C([2H])([2H])[2H].Cl
InChI
InChI=1S/C13H22N4O3S.ClH/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;1H/b13-9+;/i2D3,3D3;
InChIKey
GGWBHVILAJZWKJ-DICWLCDHSA-N
Chemical Structure
2D Structure
2D structure of Ranitidine-d6 Hydrochloride
CAS: 1185238-09-8
CID: 45040340
Formula: C13H23ClN4O3S
MW: 356.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.90
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass356.1556000
Monoisotopic Mass356.1556000
Topological Polar Surface Area112 Ų
Heavy Atom Count22
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 Count2
Compound Is CanonicalizedYes

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