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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 of UROPORPHYRIN IV

SMILES

OC(=O)CCC1=C(CC(O)=O)C2=CC3=NC(=CC4=C(CC(O)=O)C(CCC(O)=O)=C(N4)C=C5N=C(C=C1N2)C(CCC(O)=O)=C5CC(O)=O)C(CC(O)=O)=C3CCC(O)=O

InChI

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

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 19:07:57 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:57 GMT 2023
Record UNII
MN4YBN653N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UROPORPHYRIN IV
Common Name English
21H,23H-PORPHINE-2,7,13,18-TETRAPROPANOIC ACID, 3,8,12,17-TETRAKIS(CARBOXYMETHYL)-
Systematic Name English
2,7,13,18-PORPHINETETRAPROPIONIC ACID, 3,8,12,17-TETRAKIS(CARBOXYMETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
MN4YBN653N
Created by admin on Sat Dec 16 19:07:57 GMT 2023 , Edited by admin on Sat Dec 16 19:07:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID00498504
Created by admin on Sat Dec 16 19:07:57 GMT 2023 , Edited by admin on Sat Dec 16 19:07:57 GMT 2023
PRIMARY
CAS
613-02-5
Created by admin on Sat Dec 16 19:07:57 GMT 2023 , Edited by admin on Sat Dec 16 19:07:57 GMT 2023
PRIMARY