D-TUBOCURARINE CHLORIDE(57-94-3) IR1
Product NameD-TUBOCURARINE CHLORIDE
CAS57-94-3
Molecular FormulaC37H41N2O6.ClH.Cl
Molecular Weight681.65
InChIInChI=1/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H/t28-,29+;;/s3
InChIKey GXFZCDMWGMFGFL-KMBPXLAGNA-N
SmilesC12=C3CC[N+](C)(C)[C@@H]1CC1=CC=C(O)C(OC4=C(OC)C=C5CCN(C)[C@H](C5=C4)CC4=CC=C(C=C4)OC2=C(O)C(OC)=C3)=C1.Cl.[Cl-] |&1:7,26,r|
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MassMS-IW-1435 (+)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium chloride hydrochloride C37H41ClN2O6 HCl 5H2O(Mass of molecular ion: 680)
Source Temperature: 210 °C Sample Temperature: 180 °C Direct, 75 eV
36.0 7.9 38.0 2.7 42.0 2.2 50.0 4.5 52.0 1.5 58.0 11.4 59.0 1.2 132.0 2.0 133.0 1.1 144.0 1.0 145.0 2.4 146.0 1.9 148.0 1.6 160.0 1.4 161.0 3.3 162.0 4.6 174.0 3.5 175.0 1.7 176.0 3.0 177.0 1.8 178.0 1.1 189.0 1.4 190.0 5.6 191.0 6.8 192.0 5.1 249.0 1.1 266.0 5.0 267.0 1.4 281.0 1.6 282.0 2.4 283.0 1.3 294.0 2.0 295.0 6.3 296.0 13.6 297.0 19.1 298.0 100.0 299.0 19.8 300.0 2.6 312.0 2.6 385.0 1.5 473.0 1.8 550.0 3.1 551.0 1.2 562.0 2.3 563.0 2.3 564.0 3.6 565.0 1.6 577.0 1.1 578.0 1.0 579.0 1.7 592.0 1.4 593.0 15.3 594.0 29.0 595.0 10.6 596.0 2.4 607.0 2.3 608.0 5.6 609.0 2.1
KBr disc
nujol mull
