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Cimetidine EP Impurity H

CAT: 1299-RM-C132003-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C132003-01Size:10 mg
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CAS Number
74886-59-2
Synonyms
1,1'- (disulfanediylbis (ethane-2,1-diyl) ) bis (2'-cyano-3-methylguanidine)
Molecular Formula
C10H18N8S2
Molecular Weight
314.43
Target Alternative Name
Cimetidine
Product Name Synonym
1,1'- (disulfanediylbis (ethane-2,1-diyl) ) bis (2'-cyano-3-methylguanidine)

Chemical Information

Cimetidine EP Impurity H
CAS Number74886-59-2
PubChem CID14457221
IUPAC Name1-cyano-3-[2-[2-[(N-cyano-N'-methylcarbamimidoyl)amino]ethyldisulfanyl]ethyl]-2-methylguanidine
Molecular FormulaC10H18N8S2
Molecular Weight314.4
XLogP-0.3
Topological Polar Surface Area171
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity375
SMILES
CN=C(NCCSSCCNC(=NC)NC#N)NC#N
InChI
InChI=1S/C10H18N8S2/c1-13-9(17-7-11)15-3-5-19-20-6-4-16-10(14-2)18-8-12/h3-6H2,1-2H3,(H2,13,15,17)(H2,14,16,18)
InChIKey
TVTGYLDJRZJUDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cimetidine EP Impurity H
CAS: 74886-59-2
CID: 14457221
Formula: C10H18N8S2
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP3-0.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass314.10958496
Monoisotopic Mass314.10958496
Topological Polar Surface Area171 Ų
Heavy Atom Count20
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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RM-C132009-01Cimetidine EP Impurity B
RM-C132011-01Cimetidine EP Impurity G
RM-C132006-01Cimetidine EP Impurity F
RM-C132007-01Cimetidine EP Impurity D
RM-C132013-01Cimetidine EP Impurity J
RM-C132029-01Cimetidine Impurity 3

Alternative Products

CatalogName
458515-01Cimetidine EP Impurity A
AR-C02809-01Cimetidine EP Impurity E (Cimetidine Sulphoxide)
IC58263-01Cimetidine impurity F
AR-C02820-01Cimetidine Impurity 3
AR-C07608-01Cimetidine Impurity 7
AR-C07607-01Cimetidine Impurity 6
AR-C07611-01Cimetidine Impurity 8
AR-C04072-01Cimetidine EP Impurity C
AR-C02816-01Cimetidine EP Impurity G
AR-C07610-01Cimetidine EP Impurity E-d3 (Cimetidine Sulphoxide-d3)

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