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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H42N4O10S
Molecular Weight 770.847
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PM-030047

SMILES

[H][C@]12[C@@H]3N[C@@H](CC4=CC(C)=C(OC)C(O)=C34)[C@H](O)N1[C@H]5COC(=O)[C@]8(CS[C@@H]2C6=C(OC(C)=O)C(C)=C7OCOC7=C56)NCCC9=C8NC%10=CC=C(OC)C=C9%10

InChI

InChIKey=FQFWDCVRPHOEOS-HPTGFVDJSA-N
InChI=1S/C40H42N4O10S/c1-16-10-19-11-24-38(47)44-25-13-51-39(48)40(37-21(8-9-41-40)22-12-20(49-4)6-7-23(22)43-37)14-55-36(30(44)29(42-24)26(19)31(46)32(16)50-5)28-27(25)35-34(52-15-53-35)17(2)33(28)54-18(3)45/h6-7,10,12,24-25,29-30,36,38,41-43,46-47H,8-9,11,13-15H2,1-5H3/t24-,25-,29+,30+,36+,38-,40+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PM-030047
Common Name 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-DIMETHYL-, (1'R,6R,6AR,7R,13S,1
Systematic Name English
LURBINECTEDIN METABOLITE M4
Common Name English
PM030047
Common Name English
Code System Code Type Description
CAS
577748-36-8
Created by admin on Sat Dec 16 17:37:45 GMT 2023 , Edited by admin on Sat Dec 16 17:37:45 GMT 2023
PRIMARY
PUBCHEM
89434962
Created by admin on Sat Dec 16 17:37:45 GMT 2023 , Edited by admin on Sat Dec 16 17:37:45 GMT 2023
PRIMARY
FDA UNII
CGD1PI0B4S
Created by admin on Sat Dec 16 17:37:45 GMT 2023 , Edited by admin on Sat Dec 16 17:37:45 GMT 2023
PRIMARY