CAS 330784-47-9 Avanafil 100 µg/mL in Acetonitrile:Dimethylsulfoxide

CAT	APS330784479A
CAS	330784-47-9
Structure
Synonyms	TA 1790, (S)-2-(2-Hydroxymethyl-1-pyrrolidinyl)-4-(3-chloro-4-methoxybenzylamino)-5-[(2-pyrimidinylmethyl)carbamoyl]pyrimidine,5-Pyrimidinecarboxamide, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-, Avanafil
IUPAC Name	4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
Molecular Weight	483.95
Molecular Formula	C23H26ClN7O3
Canonical SMILES	COc1ccc(CNc2nc(ncc2C(=O)NCc3ncccn3)N4CCC[C@H]4CO)cc1Cl
InChI	InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1

Accurate Mass	483.1786
Format	Single Solution
Product Type	Native/Parent
Shipping	Room Temperature
Size	1ML
Storage Conditions	-10°C
Subcategory	Pharmaceutical and veterinary compounds and metabolites

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