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Degranol

CAT: 0013-GTR19199326-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199326-01Size:25 mg
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Description
Degranol is a nitrogen mustard-based alkylating agent with antineoplastic properties. It is a potent vesicant and causes significant bone marrow suppression. This compound is used in research to study alkylating agent mechanisms and cytotoxicity in both in vitro and in vivo experimental models.
CAS Number
551-74-6
Field of Research
Metabolism Research
Smiles
Cl.O[C@H] (CNCCCl) [C@@H] (O) [C@H] (O) [C@H] (O) CNCCCl
Molecular Formula
C10H23Cl3N2O4
Molecular Weight
341.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mannomustine Hydrochloride

Mannomustine dihydrochloride is an organic molecular entity.

CAS Number551-74-6
PubChem CID62369
IUPAC Name(2R,3R,4R,5R)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol;dihydrochloride
Molecular FormulaC10H24Cl4N2O4
Molecular Weight378.1
Topological Polar Surface Area105
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity183
SMILES
C(CCl)NC[C@H]([C@H]([C@@H]([C@@H](CNCCCl)O)O)O)O.Cl.Cl
InChI
InChI=1S/C10H22Cl2N2O4.2ClH/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12;;/h7-10,13-18H,1-6H2;2*1H/t7-,8-,9-,10-;;/m1../s1
InChIKey
GBKLAYXZNQSPBS-XYSQQLOGSA-N
Chemical Structure
2D Structure
2D structure of Mannomustine Hydrochloride
CAS: 551-74-6
CID: 62369
Formula: C10H24Cl4N2O4
MW: 378.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass378.046068
Monoisotopic Mass376.049018
Topological Polar Surface Area105 Ų
Heavy Atom Count20
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775031Degranol

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