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Dacarbazine hydrochloride

CAT: 0931-T1120L-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T1120L-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17925-90-5
Target
Others, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
Dacarbazine (imidazole carboxamide) is a chemotherapy drug used to treat melanoma and Hodgkin's lymphoma.
Smiles
Cl.CN(C)N=Nc1[nH]cnc1C(N)=O |w:5.4|
Molecular Formula
C6H11ClN6O
Molecular Weight
218.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dacarbazine hydrochloride
CAS Number17925-90-5
PubChem CID135565185
IUPAC Name4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide;hydrochloride
Molecular FormulaC6H11ClN6O
Molecular Weight218.64
Topological Polar Surface Area99.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
CN(C)/N=N/C1=C(NC=N1)C(=O)N.Cl
InChI
InChI=1S/C6H10N6O.ClH/c1-12(2)11-10-6-4(5(7)13)8-3-9-6;/h3H,1-2H3,(H2,7,13)(H,8,9);1H/b11-10+;
InChIKey
JTLLDOORGJVYPT-ASTDGNLGSA-N
Chemical Structure
2D Structure
2D structure of Dacarbazine hydrochloride
CAS: 17925-90-5
CID: 135565185
Formula: C6H11ClN6O
MW: 218.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.64
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass218.0682867
Monoisotopic Mass218.0682867
Topological Polar Surface Area99.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
Isotope Atom Count0
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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