UROPORPHYRIN I

Details

Stereochemistry	ACHIRAL
Molecular Formula	C40H38N4O16
Molecular Weight	830.7469
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCC1=C(CC(O)=O)C2=CC3=NC(=CC4=C(CCC(O)=O)C(CC(O)=O)=C(N4)C=C5N=C(C=C1N2)C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C3CCC(O)=O

InChI

InChIKey=DAFUFNRZWDWXJP-JRHDEHKPSA-N

InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-

HIDE SMILES / InChI

Molecular Formula	C40H36N4O16
Molecular Weight	828.731
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 13:08:22 GMT 2023` Edited by `admin` on `Sat Dec 16 13:08:22 GMT 2023`
Record UNII	7GCA4YUE1K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UROPORPHYRIN I

Common Name

English

3,8,13,18-TETRAKIS(CARBOXYMETHYL)-21H,23H-PORPHINE-2,7,12,17-TETRAPROPANOIC ACID

Systematic Name

English

21H,23H-PORPHINE-2,7,12,17-TETRAPROPANOIC ACID, 3,8,13,18-TETRAKIS(CARBOXYMETHYL)-

Systematic Name

English

Code System Code Type Description

CHEBI

27484

Created by admin on Sat Dec 16 13:08:22 GMT 2023 , Edited by admin on Sat Dec 16 13:08:22 GMT 2023

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EPA CompTox

DTXSID90896979

Created by admin on Sat Dec 16 13:08:22 GMT 2023 , Edited by admin on Sat Dec 16 13:08:22 GMT 2023

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CAS

607-14-7

Created by admin on Sat Dec 16 13:08:22 GMT 2023 , Edited by admin on Sat Dec 16 13:08:22 GMT 2023

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FDA UNII

7GCA4YUE1K

Created by admin on Sat Dec 16 13:08:22 GMT 2023 , Edited by admin on Sat Dec 16 13:08:22 GMT 2023

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