Talaporfin

Name: Talaporfin — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₈H₄₁N₅O₉ — CID 137321894

💊View drug profile → talaporfin

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,22,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioic acid

SMILESC=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C

InChIInChI=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/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1

InChIKeyVSEIDZLLWQQJGK-WSUYNKMOSA-N

MW711.77 g/mol

LogP5.95

Rot. Bonds12

About Talaporfin

Talaporfin (PubChem CID 137321894) has the molecular formula C₃₈H₄₁N₅O₉ and a molecular weight of 711.77 g/mol. Its IUPAC name is (2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,22,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioic acid.

Molecular Properties

Compound Name	Talaporfin
PubChem CID	137321894
Molecular Formula	C₃₈H₄₁N₅O₉
Molecular Weight	711.77 g/mol
Exact Mass	711.29
IUPAC Name	(2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,22,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioic acid
SMILES	C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C
InChI	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/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1
InChIKey	VSEIDZLLWQQJGK-WSUYNKMOSA-N
XLogP	5.95
TPSA	235.66 Å²
H-Bond Donors	7
H-Bond Acceptors	7
Rotatable Bonds	12
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	711.77
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Talaporfin?

The IUPAC name of Talaporfin (CID 137321894) is (2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,22,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioic acid.

What is the SMILES notation for Talaporfin?

The canonical SMILES for Talaporfin is C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C.

What is the InChIKey of Talaporfin?

The InChIKey is VSEIDZLLWQQJGK-WSUYNKMOSA-N. The full InChI is 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/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1.

What are the key properties of Talaporfin?

Talaporfin has a molecular weight of 711.77 g/mol, XLogP of 5.95, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Talaporfin is sourced from PubChem (CID 137321894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: N · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 137321894 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 2555 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.