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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H18F3N3O6
Molecular Weight 525.4328
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-250749

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1F)N2C3=CC=C(F)C=C3C4=C5C(=O)NC(=O)C5=C6C(NC7=C6C=C(F)C=C7)=C24

InChI

InChIKey=MUXIBMYSVWHKJF-KLQAUAMZSA-N
InChI=1S/C26H18F3N3O6/c27-8-1-3-12-10(5-8)15-17-18(25(37)31-24(17)36)16-11-6-9(28)2-4-13(11)32(21(16)20(15)30-12)26-23(35)22(34)19(29)14(7-33)38-26/h1-6,14,19,22-23,26,30,33-35H,7H2,(H,31,36,37)/t14-,19-,22+,23-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H18F3N3O6
Molecular Weight 525.4328
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:22:42 GMT 2023
Edited
by admin
on Fri Dec 15 16:22:42 GMT 2023
Record UNII
HU1KU33PO9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-250749
Common Name English
5H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOLE-5,7(6H)-DIONE, 12-(4-DEOXY-4-FLUORO-.BETA.-D-GLUCOPYRANOSYL)-3,9-DIFLUORO-12,13-DIHYDRO-
Systematic Name English
Code System Code Type Description
CAS
406913-72-2
Created by admin on Fri Dec 15 16:22:42 GMT 2023 , Edited by admin on Fri Dec 15 16:22:42 GMT 2023
PRIMARY
FDA UNII
HU1KU33PO9
Created by admin on Fri Dec 15 16:22:42 GMT 2023 , Edited by admin on Fri Dec 15 16:22:42 GMT 2023
PRIMARY
PUBCHEM
9828230
Created by admin on Fri Dec 15 16:22:42 GMT 2023 , Edited by admin on Fri Dec 15 16:22:42 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY