altretamine   

GtoPdb Ligand ID: 7112

Synonyms: Hexalen®
altretamine is an approved drug (FDA (1990))
Compound class: Synthetic organic
Comment: Altretamine is a DNA alkylating agent
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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
InChI Key UUVWYPNAQBNQJQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1990))
IUPAC Name
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
International Nonproprietary Names
INN number INN
4825 altretamine
Synonyms
Hexalen®
Database Links
CAS Registry No. 645-05-6
ChEMBL Ligand CHEMBL1455
DrugBank Ligand DB00488
DrugCentral Ligand 141
GtoPdb PubChem SID 178103689
PubChem CID 2123
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