Nortemozolomide - CAS 108030-65-5

Catalog:	BB076374
Product Name:	Nortemozolomide
CAS:	108030-65-5
Synonyms:	4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 4-oxo-3H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide; 4-Oxo-4,5-dihydro-2,3a,5,6,7-pentaaza-3aH-indene-1-carboxamide

Technical Data

IUPAC Name:	4-oxo-3H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Description:	Nortemozolomide can be useful in imidazotetrazines preparation and effects in temozolomide-resistant brain tumor.
Molecular Weight:	180.12
Molecular Formula:	C5H4N6O2
Canonical SMILES:	C1=NC(=C2N1C(=O)NN=N2)C(=O)N
InChI:	InChI=1S/C5H4N6O2/c6-3(12)2-4-8-10-9-5(13)11(4)1-7-2/h1H,(H2,6,12)(H,8,9,13)
InChI Key:	SWRRSVJSVVRGKD-UHFFFAOYSA-N
References:	Svec, Riley L., et al. ACS Chem. Biol., 17, 299 (2022).

Complexity:	289
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.03957339
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.03957339
Rotatable Bond Count:	1
Topological Polar Surface Area:	115Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2