Cimetidine-d3 - ≥98%,≥98 atom% D , CAS No.1185237-29-9

CAS: 1185237-29-9 Cat. No.: C344899 Molecular Weight: 255.34 EC Number: 873-787-9

GRADE & PURITY ≥98%,≥98 atom% D

Synonyms

1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(trideuteriomethyl)guanidine | N-cyano-N''-(?H?)methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine | 1185237-29-9 | AKOS030227986 | N-Cyano-N'-methyl-d3-N''-[2-[[(5-me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Cimetidine-d3 is a labeled competitive histamine H2-receptor antagonist that inhibits gastric acid secretion and reduces pepsin output.

Specifications

Synonyms

1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(trideuteriomethyl)guanidine | N-cyano-N''-(?H?)methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine | 1185237-29-9 | AKOS030227986 | N-Cyano-N'-methyl-d3-N''-[2-[[(5-me

Specifications & Purity

≥98%, ≥98 atom% D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%, ≥98 atom% D

Names and Identifiers

• Canonical Smiles: CC1=C(N=CN1)CSCCNC(=NC)NC#N
• IUPAC Name: 1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(trideuteriomethyl)guanidine
• InChIKey: AQIXAKUUQRKLND-BMSJAHLVSA-N
• INCHI: 1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)/i2D3
• Isomeric SMILES: [2H]C([2H])([2H])N=C(NCCSCC1=C(NC=N1)C)NC#N
• Alternate CAS: 51481-61-9(Unlabelled)
• Molecular Weight: 255.34
• Reaxy-Rn: 807826
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=807826&ln=

Chemical and Physical Properties

• Solubility: Soluble in DMSO, Methanol and Water
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 135-137° C
• Molecular Weight: 255.360 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 255.135 Da
• Monoisotopic Mass: 255.135 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 296.000
• Isotope Atom Count: 3
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1