General Information of Drug (ID: DMCB7ZZ)

Drug Name
Talaporfin
Synonyms Aptocine (TN)
Indication
Disease Entry ICD 11 Status REF
Breast cancer 2C60-2C65 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C38H41N5O9
Canonical SMILES
CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)NC(CC(=O)O)C(=O)O)CCC(=O)O)C)C)C=C)C
InChI
1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39-40H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t18-,22-,30-/m0/s1
InChIKey
SIEXFRDYNDREBM-BRXYURPTSA-N
Cross-matching ID
PubChem CID
5486799
ChEBI ID
CHEBI:135875
CAS Number
110230-98-3
TTD ID
D04WJO

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015