Benzoporphyrin D

Details

Stereochemistry	ACHIRAL
Molecular Formula	C42H42N4O8
Molecular Weight	730.8049
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)C1C(=CC=C2C3=CC4=NC(=CC5=NC(=CC6=NC(=CC(=N3)C12C)C(C=C)=C6C)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)C(=O)OCC

InChI

InChIKey=VODLFEADYRDTAR-CLMRPBTGSA-N

InChI=1S/C42H44N4O8/c1-8-24-21(4)29-17-30-22(5)25(12-15-37(47)48)32(43-30)19-33-26(13-16-38(49)50)23(6)31(44-33)18-35-28-14-11-27(40(51)53-9-2)39(41(52)54-10-3)42(28,7)36(46-35)20-34(24)45-29/h8,11,14,17-20,39,43,46H,1,9-10,12-13,15-16H2,2-7H3,(H,47,48)(H,49,50)/b29-17-,33-19-,35-18-,36-20-

HIDE SMILES / InChI

Molecular Formula	C42H42N4O8
Molecular Weight	730.8049
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:53:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:53:21 GMT 2025`
Record UNII	ESB5M7473T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

23H,25H-Benzo[b]porphine-9,13-dipropanoic acid, 1,2-bis(ethoxycarbonyl)-19-ethenyl-1,22a-dihydro-8,14,18,22a-tetramethyl-

Preferred Name

English

Benzoporphyrin D

Common Name

English

Code System Code Type Description

PUBCHEM

5485223

Created by admin on Mon Mar 31 22:53:21 GMT 2025 , Edited by admin on Mon Mar 31 22:53:21 GMT 2025

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CAS

113719-89-4

Created by admin on Mon Mar 31 22:53:21 GMT 2025 , Edited by admin on Mon Mar 31 22:53:21 GMT 2025

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FDA UNII

ESB5M7473T

Created by admin on Mon Mar 31 22:53:21 GMT 2025 , Edited by admin on Mon Mar 31 22:53:21 GMT 2025

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