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Tinostamustine HCl

CAT: 0013-GTR19209800-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209800-01Size:25 mg
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Description
Tinostamustine HCl
CAS Number
1793059-58-1
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
Cl.Cn1c (CCCCCCC (=O) NO) nc2cc (ccc12) N (CCCl) CCCl
Molecular Formula
C19H29Cl3N4O2
Molecular Weight
451.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tinostamustine hydrochloride
CAS Number1793059-58-1
PubChem CID134687437
IUPAC Name7-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]-N-hydroxyheptanamide;hydrochloride
Molecular FormulaC19H29Cl3N4O2
Molecular Weight451.8
Topological Polar Surface Area70.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count28
Formal Charge0
Complexity438
SMILES
CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCCCCC(=O)NO.Cl
InChI
InChI=1S/C19H28Cl2N4O2.ClH/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27;/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26);1H
InChIKey
DWGQFQRWFYIINU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tinostamustine hydrochloride
CAS: 1793059-58-1
CID: 134687437
Formula: C19H29Cl3N4O2
MW: 451.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass450.135609
Monoisotopic Mass450.135609
Topological Polar Surface Area70.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity438
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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Alternative Products

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