Deuteroporphyrin dimethyl ester

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H34N4O4
Molecular Weight	538.6368
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Deuteroporphyrin dimethyl ester

Structure Search

SMILES

COC(=O)CCC1=C(C)C2=CC3=NC(C=C3C)=CC4=C(C)C=C(N4)C=C5N=C(C=C1N2)C(CCC(=O)OC)=C5C

InChI

InChIKey=MTXRVEYQSPRYBW-RWJCOFQGSA-N

InChI=1S/C32H34N4O4/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22/h11-16,33,36H,7-10H2,1-6H3/b21-13-,22-14-,25-13-,26-15-,27-14-,28-15-,29-16-,30-16-

HIDE SMILES / InChI

Molecular Formula	C32H34N4O4
Molecular Weight	538.6368
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:34:23 GMT 2025` Edited by `admin` on `Tue Apr 01 19:34:23 GMT 2025`
Record UNII	B2AR39YW5P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-17451

Preferred Name

English

Deuteroporphyrin dimethyl ester

Common Name

English

21H,23H-PORPHINE-2,18-DIPROPANOIC ACID, 3,7,12,17-TETRAMETHYL-, 2,18-DIMETHYL ESTER

Common Name

English

methyl 3-[20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1{3,6}.1{8,11}.1{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoate

Systematic Name

English

Deuteroporphyrin IX dimethyl ester

Common Name

English

Pyroporphyrin dimethyl ester

Common Name

English

2,18-Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate

Systematic Name

English

Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate

Systematic Name

English

Code System Code Type Description

CAS

10589-94-3