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Details

Stereochemistry RACEMIC
Molecular Formula C24H27N3O5S
Molecular Weight 469.553
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERBULOZOLE

SMILES

CCOC(=O)NC1=CC=C(SC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C4=CC=C(OC)C=C4)C=C1

InChI

InChIKey=KLEPCGBEXOCIGS-XUZZJYLKSA-N
InChI=1S/C24H27N3O5S/c1-3-30-23(28)26-19-6-10-22(11-7-19)33-15-21-14-31-24(32-21,16-27-13-12-25-17-27)18-4-8-20(29-2)9-5-18/h4-13,17,21H,3,14-16H2,1-2H3,(H,26,28)/t21-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H27N3O5S
Molecular Weight 469.553
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Erbulozole (R 55104) is a water soluble congener of the microtubule inhibitor tubulozole, which has proven to possess anti-invasive, antitumoral and radiosensitizing capacities. Erbulozole development for the treatment of cancer has been discontinued.

Originator

Approval Year

PubMed

Substance Class Chemical
Record UNII
78XGN2K5RX
Record Status Validated (UNII)
Record Version