altretamine   Click here for help

GtoPdb Ligand ID: 7112

Synonyms: Hexalen®
Approved drug
altretamine is an approved drug (FDA (1990))
Compound class: Synthetic organic
Comment: Altretamine is a DNA alkylating agent
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 48.39
Molecular weight 210.16
XLogP 1.71
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CN(c1nc(nc(n1)N(C)C)N(C)C)C
Isomeric SMILES CN(c1nc(nc(n1)N(C)C)N(C)C)C
InChI InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1990))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4825 altretamine
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 645-05-6
ChEMBL Ligand CHEMBL1455
DrugBank Ligand DB00488
DrugCentral Ligand 141
GtoPdb PubChem SID 178103689
PubChem CID 2123
Search Google for chemical match using the InChIKey UUVWYPNAQBNQJQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UUVWYPNAQBNQJQ
Search PubMed clinical trials altretamine
Search PubMed titles altretamine
Search PubMed titles/abstracts altretamine
UniChem Compound Search for chemical match using the InChIKey UUVWYPNAQBNQJQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UUVWYPNAQBNQJQ-UHFFFAOYSA-N
Wikipedia altretamine