CAS Number
Molecular Formula
C52H56FN9O1
Product format
Neat
Molecular Weight
1034.07
API Family
Synonyms
1599440-13-7; Mc-ggfg-dxd(1); 5SEB972CO4; DERUXTECAN PYRROLE-2, 5-DIONE; N-(6-(2, 5-DIHYDRO-2, 5-DIOXO-1H-PYRROL-1-YL)-1-OXOHEXYL)GLYCYLGLYCYL-L-PHENYLALANYL-N-((2-(((1S, 9S)-9-ETHYL-5-FLUORO-2, 3, 9, 10, 13, 15-HEXAHYDRO-9-HYDROXY-4-METHYL-10, 13-DIOXO-1H, 12H-BENZO(DE)PYRANO(3', 4':6, 7)INDOLIZINO(1, 2-B)QUINOLIN-1-YL)AMINO)-2-OXOETHOXY)METHYL)GLYCINAMIDE; RefChem:200424; Deruxtecan; N-((S)-10-Benzyl-1-(((1S, 9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10, 13-dioxo-2, 3, 9, 10, 13, 15-hexahydro-1H, 12H-benzo[de]pyrano[3', 4':6, 7]indolizino[1, 2-b]quinolin-1-yl)amino)-1, 6, 9, 12, 15-pentaoxo-3-oxa-5, 8, 11, 14-tetraazahexadecan-16-yl)-6-(2, 5-dioxo-2, 5-dihydro-1H-pyrrol-1-yl)hexanamide; 6-(2, 5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[[2-[[(10S, 23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5, 9-dioxo-8-oxa-4, 15-diazahexacyclo[14.7.1.02, 14.04, 13.06, 11.020, 24]tetracosa-1, 6(11), 12, 14, 16, 18 and 20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide; Deruxtecan?; MFCD31657445; Deruxtecan [USAN]; UNII-5SEB972CO4; MAAA-1162a; orb1308394; SCHEMBL17003548; SCHEMBL29436273; SCHEMBL30040905; EX-A4318; HY-13631E
Iupac Name
6-(2, 5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[[2-[[(10S, 23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5, 9-dioxo-8-oxa-4, 15-diazahexacyclo[14.7.1.02, 14.04, 13.06, 11.020, 24]tetracosa-1, 6(11), 12, 14, 16, 18 and 20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
InChI
InChI=1S/C52H56FN9O13/c1-3-52(73)33-19-38-48-31(24-62(38)50(71)32(33)25-75-51(52)72)47-35(14-13-30-28(2)34(53)20-36(60-48)46(30)47)58-43(67)26-74-27-57-41(65)22-56-49(70)37(18-29-10-6-4-7-11-29)59-42(66)23-55-40(64)21-54-39(63)12-8-5-9-17-61-44(68)15-16-45(61)69/h4,6-7,10-11,15-16,19-20,35,37,73H,3,5,8-9,12-14,17-18,21-27H2,1-2H3,(H,54,63)(H,55,64)(H,56,70)(H,57,65)(H,58,67)(H,59,66)/t35-,37-,52-/m0/s1
