TALAPORFIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H41N5O9
Molecular Weight	711.7602
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1=C(C)C2=CC3=C(C=C)C(C)=C(N3)C=C4N=C([C@@H](CCC(O)=O)[C@@H]4C)C(CC(=O)N[C@@H](CC(O)=O)C(O)=O)=C5NC(=CC1=N2)C(C)=C5C(O)=O

InChI

InChIKey=VSEIDZLLWQQJGK-WSUYNKMOSA-N

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

HIDE SMILES / InChI

Molecular Formula	C38H39N5O9
Molecular Weight	709.7444
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:53:10 UTC 2023` Edited by `admin` on `Sat Dec 16 17:53:10 UTC 2023`
Record UNII	P4ROX5ELT2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TALAPORFIN

Official Name

English

Talaporfin [WHO-DD]

Common Name

English

TALAPORFIN [MI]

Common Name

English

(2S)-2-((((7S,8S)-3-CARBOXYLATO-7-(2-CARBOXYLATOETHYL)-13-ETHENYL-18-ETHYL-2,8,12,17-TETRAMETHYL-7,8-DIHYDROPORPHYRIN-5-YL)ACETYL)AMINO)BUTANEDIOIC ACID

Common Name

English

talaporfin [INN]

Common Name

English

L-ASPARTIC ACID, N-(((7S,8S)-3-CARBOXY-7-(2-CARBOXYETHYL)-13-ETHENYL-18-ETHYL-7,8-DIHYDRO-2,8,12,17-TETRAMETHYL-21H,23H-PORPHIN-5-YL)ACETYL)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1420