Altretamine - CAS 645-05-6

Name: Altretamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032485
Product Name:	Altretamine
CAS:	645-05-6
Synonyms:	2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
Application:	An antitumor agent which also acts as a chemosterilant for male houseflies and other insects. Antineoplastic.

Technical Data

Related CAS:	2975-00-0 (hydrochloride)
IUPAC Name:	2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
Description:	Altretamine is an anti-neoplastic agent.
Molecular Weight:	210.28
Molecular Formula:	C9H18N6
Canonical SMILES:	CN(C)C1=NC(=NC(=N1)N(C)C)N(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
Boiling Point:	301 °C
Melting Point:	172-174 °C
Purity:	> 98 %
Density:	1.148 g/cm³
Solubility:	Insoluble
Appearance:	Solid
LogP:	0.06960
Stability:	Bulk: the bulk drug is stable at room temperature. solution: aqueous solutions at ph 4, 7, And 10 are stable for 24 hours at room temperature (uv)
Vapor Pressure:	2.95X10-4 mm Hg at 25 °C (est)

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22330607	20120213	Therapeutic strategies in epithelial ovarian cancer	Journal of experimental & clinical cancer research : CR
22309994	20120206	Validation of a single-platform, volumetric, flow cytometry for CD4 T cell count monitoring in therapeutic mobile unit	Journal of translational medicine
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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.15929460
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.15929460
Rotatable Bond Count:	3
Topological Polar Surface Area:	48.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7