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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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 Number	17925-90-5
PubChem CID	135565185
IUPAC Name	4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide;hydrochloride
Molecular Formula	C6H11ClN6O
Molecular Weight	218.64
Topological Polar Surface Area	99.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	215

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

CAS: 17925-90-5

CID: 135565185

Formula: C6H11ClN6O

MW: 218.64

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	218.64
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	218.0682867
Monoisotopic Mass	218.0682867
Topological Polar Surface Area	99.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
HY-B0078B	Dacarbazine (hydrochloride)
MBS5766599	Dacarbazine hydrochloride
D075-1G	Dacarbazine

Dacarbazine hydrochloride

Chemical Information

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