DERUXTECAN PYRROLE-2,5-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H56FN9O13
Molecular Weight	1034.0519
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DERUXTECAN PYRROLE-2,5-DIONE

Structure Search

SMILES

[H][C@@](CC1=CC=CC=C1)(NC(=O)CNC(=O)CNC(=O)CCCCCN2C(=O)C=CC2=O)C(=O)NCC(=O)NCOCC(=O)N[C@@]3([H])CCC4=C5C(=CC(F)=C4C)N=C6C7=CC8=C(COC(=O)[C@]8(O)CC)C(=O)N7CC6=C35

InChI

InChIKey=WXNSCLIZKHLNSG-MCZRLCSDSA-N

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

HIDE SMILES / InChI

Molecular Formula	C52H56FN9O13
Molecular Weight	1034.0519
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:13:17 GMT 2023` Edited by `admin` on `Sat Dec 16 14:13:17 GMT 2023`
Record UNII	5SEB972CO4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DERUXTECAN PYRROLE-2,5-DIONE

Common Name

English

MC-GGFG-DXD(1)

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

5SEB972CO4

Created by admin on Sat Dec 16 14:13:18 GMT 2023 , Edited by admin on Sat Dec 16 14:13:18 GMT 2023

PRIMARY

SMS_ID

300000010140

Created by admin on Sat Dec 16 14:13:18 GMT 2023 , Edited by admin on Sat Dec 16 14:13:18 GMT 2023

PRIMARY

PUBCHEM

118305111

Created by admin on Sat Dec 16 14:13:18 GMT 2023 , Edited by admin on Sat Dec 16 14:13:18 GMT 2023

PRIMARY

CAS

1599440-13-7

Created by admin on Sat Dec 16 14:13:18 GMT 2023 , Edited by admin on Sat Dec 16 14:13:18 GMT 2023

PRIMARY

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