4-O-Tetrahydropyranyl Triamterene - CAS 63671-44-3

Catalog:	BB057539
Product Name:	4-O-Tetrahydropyranyl Triamterene
CAS:	63671-44-3
Synonyms:	6-[4-[(Tetrahydro-2H-pyran-2-yl)oxy]phenyl]-2,4,7-pteridinetriamine; 6-(4-((Tetrahydro-2H-pyran-2-yl)oxy)phenyl)pteridine-2,4,7-triamine

Technical Data

IUPAC Name:	6-[4-(oxan-2-yloxy)phenyl]pteridine-2,4,7-triamine
Description:	4-O-Tetrahydropyranyl Triamterene is an intermediate in the synthesis of 4-Hydroxy Triamterene Sulfate (H971070), a metabolite of Triamterne (T767325), a diuretic agent.
Molecular Weight:	353.38
Molecular Formula:	C17H19N7O2
Canonical SMILES:	C1CCOC(C1)OC2=CC=C(C=C2)C3=NC4=C(N=C(N=C4N=C3N)N)N
InChI:	InChI=1S/C17H19N7O2/c18-14-12(21-13-15(19)23-17(20)24-16(13)22-14)9-4-6-10(7-5-9)26-11-3-1-2-8-25-11/h4-7,11H,1-3,8H2,(H6,18,19,20,22,23,24)
InChI Key:	QOXWYZDAJBZSIG-UHFFFAOYSA-N
References:	Vollmer, G., et al. Arzneim.-Forsch., 31, 529 (1981); Gilfrich, H.J., et al. Eur. J. Clin. Pharmacol., 25, 237 (1983); Osdene, et al. J. Med. Chem., 10, 431 (1967); Kapoor, V.K., et al. Anal. Profiles Drug Subs. Excip., 23, 571 (1994).

Complexity:	462
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	353.16002287
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	353.16002287
Rotatable Bond Count:	3
Topological Polar Surface Area:	148Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8