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Altretamine hydrochloride

CAT: 0931-T72217-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72217-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2975-00-0
Target
DNA Alkylator/Crosslinker, Others
Related Pathways
Others, DNA Damage/DNA Repair
Bioactivity
Altretamine hydrochloride, an alkylating antineoplastic agent, is used in cancer treatment.
Smiles
Cl.N=1C(=NC(=NC1N(C)C)N(C)C)N(C)C
Molecular Formula
C9H19ClN6
Molecular Weight
246.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Altretamine hydrochloride
CAS Number2975-00-0
PubChem CID165057
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
Molecular FormulaC9H19ClN6
Molecular Weight246.74
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity148
SMILES
CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C.Cl
InChI
InChI=1S/C9H18N6.ClH/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;/h1-6H3;1H
InChIKey
AKAQBNIEQUSIJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Altretamine hydrochloride
CAS: 2975-00-0
CID: 165057
Formula: C9H19ClN6
MW: 246.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.74
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass246.1359723
Monoisotopic Mass246.1359723
Topological Polar Surface Area48.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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