U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C41H44N4O10S
Molecular Weight 784.874
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LURBINECTEDIN

SMILES

[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4NC6=CC=C(OC)C=C56)C(=O)OC[C@H](N1[C@@H](O)[C@@H]7CC8=CC(C)=C(OC)C(O)=C8[C@H]2N7C)C9=C%10OCOC%10=C(C)C(OC(C)=O)=C39

InChI

InChIKey=YDDMIZRDDREKEP-HWTBNCOESA-N
InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LURBINECTEDIN
INN   WHO-DD  
INN   USAN  
Official Name English
LURBINECTEDIN [MI]
Common Name English
PM1183
Code English
LURBINECTEDIN [USAN]
Common Name English
PM-1183
Code English
TRYPTAMICIDIN
Common Name English
Lurbinectedin [WHO-DD]
Common Name English
lurbinectedin [INN]
Common Name English
(1'R,6R,6AR,7R,13S,14S,16R)-8,14-DIHYDROXY-6',9-DIMETHOXY-4,10,23-TRIMETHYL-19-OXO-2',3',4',6,7,9',12,13,14,16-DECAHYDRO-6AHSPIRO(7,13-AZANO-6,16-(EPITHIOPROPANOOXYMETHANO)(1,3)DIOXOLO(7,8)ISOQUINOLINO(3,2-B)(3)BENZAZOCINE-20,1'-PYRIDO(3,4-B)INDOL)-5-YL
Systematic Name English
PM-01183
Code English
SPIRO(6,16-(EPITHIOPROPANOXYMETHANO)-7,13-IMINO-12H-1,3-DIOXOLO(7,8)ISOQUINO(3,2-B)(3)BENZAZOCINE-20,1'-(1H)PYRIDO(3,4-B)INDOL)-19-ONE, 5-(ACETYLOXY)-2',3',4',6,6A,7,9',13,14,16-DECAHYDRO-8,14-DIHYDROXY-6',9-DIMETHOXY-4,10,23-TRIMETHYL-, (1'R,6R,6AR,7R,1
Systematic Name English
ZEPSYRE
Brand Name English
PM01183
Code English
ZEPZELCA
Brand Name English
LURBINECTEDIN [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C25760
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
EU-Orphan Drug EU/3/19/2143
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
FDA ORPHAN DRUG 646018
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
NCI_THESAURUS C2115
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
FDA ORPHAN DRUG 376512
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID30198065
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
DRUG BANK
DB12674
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
WIKIPEDIA
Lurbinectedin
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
NCI_THESAURUS
C82382
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
INN
9397
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
SMS_ID
100000175912
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
MERCK INDEX
m12217
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
USAN
GH-125
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
FDA UNII
2CN60TN6ZS
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
RXCUI
2374729
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
DAILYMED
2CN60TN6ZS
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
CAS
497871-47-3
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY
PUBCHEM
57327016
Created by admin on Sat Dec 16 01:40:27 UTC 2023 , Edited by admin on Sat Dec 16 01:40:27 UTC 2023
PRIMARY