Analyte Name

3-Hydroxy Midostaurin-d5

Molecular Formula

C35 D5 H25 N4 O5

Molecular Weight

591.667

Accurate Mass

591.253

SMILES

[2H]c1c([2H])c([2H])c(C(=O)N(C)[C@@H]2C[C@H]3O[C@@](C)([C@@H]2OC)n4c5ccccc5c6c7C(O)NC(=O)c7c8c9ccccc9n3c8c46)c([2H])c1[2H]

InChI

InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33?,35+/m1/s1/i4D,5D,6D,11D,12D

IUPAC

2,3,4,5,6-pentadeuterio-N-[(2S,3R,4R,6R)-18-hydroxy-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N-methylbenzamide

Unlabelled CAS Number

179237-49-1

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat