900180-06-5
中文名稱
VORAPAXAR INTERMEDIATE-沃拉帕沙中間體
英文名稱
Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate
CAS
900180-06-5
分子式
C17H25NO5
分子量
323.38
MOL 文件
900180-06-5.mol
900180-06-5 結(jié)構(gòu)式
基本信息
中文別名
沃拉帕沙雜質(zhì)01((1R,3AR,4AR,6R,8AR,9S,9AS)-9-醛基-1-甲基-3-氧代萘并[2,3-C]呋喃-6-基]氨基甲酸乙酯
英文別名
Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxodod...Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate
[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-Formyldodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]carbamic acid ethyl ester
ETHYL ((1R,3AR,4AR,6R,8AR,9S,9AS)-9-FORMYL-1-METHYL-3-OXODODECAHYDRONAPHTHO[2,3-C]FURAN-6-YL)CARBAMATE (VORAPAXAR)
Ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyldodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-Carbamic acid ester
Carbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyldodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester
物理化學(xué)性質(zhì)
沸點(diǎn)514.9±50.0 °C(Predicted)
密度1.20±0.1 g/cm3(Predicted)
酸度系數(shù)(pKa)12.45±0.60(Predicted)
InChIInChI=1S/C17H25NO5/c1-3-22-17(21)18-11-4-5-12-10(6-11)7-13-15(14(12)8-19)9(2)23-16(13)20/h8-15H,3-7H2,1-2H3,(H,18,21)/t9-,10+,11-,12-,13-,14+,15-/m1/s1
InChIKeyUNAFPIMETYLLNQ-PIFWCUCSSA-N
SMILESC(OCC)(=O)N[C@@H]1CC[C@]2([H])[C@@]([H])(C1)C[C@@]1([H])C(=O)O[C@H](C)[C@@]1([H])[C@H]2C=O