Products for Research Use Only
RegisterLogin

NCI172112

CAT: 0607-BA3936-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA3936-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
56605-16-4
Form
A solid
Molecular Formula
C14H23Cl2N3O2
Molecular Weight
336.26
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Spiromustine

Spiromustine is a small molecule drug. The usage of the INN stem '-mustine' in the name indicates that Spiromustine is a antineoplastic, alkylating agent, (β-chloroethyl) amine derivative. Spiromustine has a monoisotopic molecular weight of 335.12 Da.

CAS Number56605-16-4
PubChem CID41945
IUPAC Name3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Molecular FormulaC14H23Cl2N3O2
Molecular Weight336.3
XLogP2
Topological Polar Surface Area52.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity380
SMILES
C1CCC2(CC1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl
InChI
InChI=1S/C14H23Cl2N3O2/c15-6-8-18(9-7-16)10-11-19-12(20)14(17-13(19)21)4-2-1-3-5-14/h1-11H2,(H,17,21)
InChIKey
QNKJFXARIMSDBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiromustine
CAS: 56605-16-4
CID: 41945
Formula: C14H23Cl2N3O2
MW: 336.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.3
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass335.1167324
Monoisotopic Mass335.1167324
Topological Polar Surface Area52.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T12195-01NCI172112
HY-U00155RNCI172112 (Standard)

Popular Products