Coproporphyrin III dihydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H38N4O8.2ClH
Molecular Weight	727.631
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Coproporphyrin III dihydrochloride

Structure Search

SMILES

Cl.Cl.CC1=C(CCC(O)=O)C2=CC3=NC(=CC4=C(C)C(CCC(O)=O)=C(N4)C=C5N=C(C=C1N2)C(CCC(O)=O)=C5C)C(C)=C3CCC(O)=O

InChI

InChIKey=VIRAXXYOIOHYLI-HXFTUNQESA-N

InChI=1S/C36H38N4O8.2ClH/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;;/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1H/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;

HIDE SMILES / InChI

Molecular Formula	C36H38N4O8
Molecular Weight	654.7089
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 `Sat Dec 16 12:20:48 GMT 2023` Edited by `admin` on `Sat Dec 16 12:20:48 GMT 2023`
Record UNII	5X5447NGE3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Coproporphyrin III dihydrochloride

Common Name

English

21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-, dihydrochloride

Common Name

English

21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-, hydrochloride (1:2)

Systematic Name

English

Code System Code Type Description

CAS

68938-73-8