化学式

CAS号

79084-81-4

IUPAC Name

(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-苄基-2-羟基-4-甲基-5,8-二氧代-3-氧杂-6,9-diazatricyclo[7.3.0.02,6]十二烷-4-基]-7-甲基-6,6a,8,9,10,10a-六氢-4H-吲哚并[4,3-fg]喹啉-9-羧酰胺;2-acetyloxybenzoic acid;7-氯-1-甲基-5-苯基-3H-1,4-苯并二氮杂卓-2-酮;(2S,3S)-2,3-dihydroxybutanedioic acid;1,3,7-trimethylpu (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;2-acetyloxybenzoic acid;7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;(2S,3S)-2,3-dihydroxybutanedioic acid;1,3,7-trimethylpurine-2,6-dione

InChI

InChI=1S/2C33H37N5O5.C16H13ClN2O.C9H8O4.C8H10N4O2.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);2-9H,10H2,1H3;2-5H,1H3,(H,11,12);4H,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,23-,25-,26+,27+,32-,33+;;;;1-,2-/m11...0/s1

InChI Key

ZTNPZRFNLXIVKR-YXFIHQFASA-N

Canonical SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O

别名

• Silentan
• Aspirin mixture with Caffeine, Diazepam and Dihydroergotamine
• 79084-81-4
• Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha,10alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (salt), mixt. with 2-(acetyloxy)benzoic acid, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one and 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione