Primary record
Deruxtecan
- CAS
- 1599440-13-7
- PubChem CID
- 118305111
- SMILES
- CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)O
- Molecular Formula
- C52H56FN9O13
- Molecular Weight
- 1034.068
- Exact Mass
- 1033.3982
- 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
- InChIKey
- WXNSCLIZKHLNSG-MCZRLCSDSA-N
- LogP
- 0.2824
- TPSA
- 302.63
Names and synonyms
- Deruxtecan
- Deruxtecan analog
- Deruxtecan?
- Mc-ggfg-dxd(1)
- 1599440-13-7
- Deruxtecan [USAN]
- RefChem:200424
- 5SEB972CO4
- UNII-5SEB972CO4
- MAAA-1162a
- DERUXTECAN PYRROLE-2,5-DIONE
- orb1308394
- SCHEMBL17003548
- SCHEMBL29436273
- SCHEMBL30040905
- DTXSID301374019
- EX-A4318
- BBF-05879
- HY-13631E
- MFCD31657445
- AKOS040741623
- AT21794
- BP-41124
- DA-62788
- MS-31882
- SY265378
- CS-0045125
- J3.759.423G
- A937678
- 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