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

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C5[C@H](CCC6=C(C)C(F)=CC(N=C34)=C56)NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)C2=O

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 `Tue Apr 01 22:37:43 GMT 2025` Edited by `admin` on `Tue Apr 01 22:37:43 GMT 2025`
Record UNII	5SEB972CO4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MC-GGFG-DXD(1)

Preferred Name

English

DERUXTECAN PYRROLE-2,5-DIONE

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 Tue Apr 01 22:37:43 GMT 2025 , Edited by admin on Tue Apr 01 22:37:43 GMT 2025

PRIMARY

SMS_ID

300000010140

Created by admin on Tue Apr 01 22:37:43 GMT 2025 , Edited by admin on Tue Apr 01 22:37:43 GMT 2025

PRIMARY

PUBCHEM

118305111

Created by admin on Tue Apr 01 22:37:43 GMT 2025 , Edited by admin on Tue Apr 01 22:37:43 GMT 2025

PRIMARY

CAS

1599440-13-7

Created by admin on Tue Apr 01 22:37:43 GMT 2025 , Edited by admin on Tue Apr 01 22:37:43 GMT 2025

PRIMARY

Related Record Type Details


					I1NS1DHT5R

CYSTEINYL DERUXTECAN

DERIVATIVE -> PARENT