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

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H30N4O5
Molecular Weight 586.6365
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-HYDROXY-MIDOSTAURIN

SMILES

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)N3C4=C(C=CC=C4)C5=C6[C@@H](O)NC(=O)C6=C7C8=C(C=CC=C8)N2C7=C35)N(C)C(=O)C9=CC=CC=C9

InChI

InChIKey=ZZSBPGIGIUFJRA-ZFQVYDAQSA-N
InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33-,35+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
7-HYDROXY-MIDOSTAURIN
Common Name English
N-((3R,9S,10R,11R,13R)-2,3,10,11,12,13-HEXAHYDRO-3-HYDROXY-10-METHOXY-9-METHYL-1-OXO-9,13-EPOXY-1H,9H-DIINDOLO(1,2,3-GH:3',2',1'-LM)PYRROLO(3,4-J)(1,7)BENZODIAZONIN-11-YL)-N-METHYLBENZAMIDE
Systematic Name English
BENZAMIDE, N-((3R,9S,10R,11R,13R)-2,3,10,11,12,13-HEXAHYDRO-3-HYDROXY-10-METHOXY-9-METHYL-1-OXO-9,13-EPOXY-1H,9H-DIINDOLO(1,2,3-GH:3',2',1'-LM)PYRROLO(3,4-J)(1,7)BENZODIAZONIN-11-YL)-N-METHYL-
Systematic Name English
CGP-52421, (R)-
Code English
(R)-3-HYDROXY MIDOSTAURIN
Common Name English
N-((5R,7R,8R,9S,14R)-14-HYDROXY-8-METHOXY-9-METHYL-16-OXO-6,7,8,9,15,16-HEXAHYDRO-5H,14H-17-OXA-4B,9A,15-TRIAZA-5,9-METHANODIBENZO(B,H)CYCLONONA(JKL)CYCLOPENTA(E)-AS-INDACEN-7-YL)-N-METHYLBENZAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
137528284
Created by admin on Sat Dec 16 18:22:18 GMT 2023 , Edited by admin on Sat Dec 16 18:22:18 GMT 2023
PRIMARY
CAS
155848-20-7
Created by admin on Sat Dec 16 18:22:18 GMT 2023 , Edited by admin on Sat Dec 16 18:22:18 GMT 2023
PRIMARY
FDA UNII
82B7XF8Z6H
Created by admin on Sat Dec 16 18:22:18 GMT 2023 , Edited by admin on Sat Dec 16 18:22:18 GMT 2023
PRIMARY