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

Details

Stereochemistry ACHIRAL
Molecular Formula C48H67N5O10
Molecular Weight 874.0731
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOTEXAFIN

SMILES

CCC1=C2NC(C=C3N=C(\C=N\C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C5=NC(=C2)C(CCCO)=C5C)C(C)=C3CCCO)=C1CC

InChI

InChIKey=AHNIKTNNZJNCFN-CNEPGKQSSA-N
InChI=1S/C48H67N5O10/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40/h27-32,51,54-55H,7-26H2,1-6H3/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+

HIDE SMILES / InChI
Molecular Formula C48H69N5O10
Molecular Weight 876.089
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Motexafin is texaphyrin patented by pharmaceutical company Pharmacyclics, Inc. as chelating agents useful for the treatment of neoplastic and cardiovascular disease. The MRI-detectable gadolinium complex of motexafin was studied as a redox modulator that selectively targets tumor cells.

Originator

Pharmacyclics, Inc., USA; Woodburn, Kathryn W.; Quing, Fan; Young, Stuart W.
1

Approval Year

Unknown
139,594

PubMed

Patents

WO9735617
1
Substance Class Chemical
Record UNII
75QG9WGN4U
Record Status Validated (UNII)
Record Version
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966