Basic information
- CAS
531-14-6- Standard SMILES
CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)c(CCC(=O)O)c4C)C(CCC(=O)O)=C3C- InChIKey
VCCUOZSDXVZCSK-UHFFFAOYSA-N- Molecular formula
- C36H38N4O8
- Average molar mass
- 654.7 g/mol
- Monoisotopic mass
- 654.26896418
Overview
Coproporphyrin I is a coproporphyrin. It has a role as a human metabolite. It is a conjugate acid of a coproporphyrin I(4-).
Names & identifiers
- Preferred name
- Coproporphyrin I
- IUPAC
- 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid
- English name
- 3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic acid
- Molecular formula
- C36H38N4O8
- Molecular weight
- 654.71
Names & synonyms
Coproporphyrin I531-14-621H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acidNSC-2670733,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic acidCoproporphyrin I, 85per cent(contain 13per cent Coproporphyrin lll)3,3',3'',3'''-(3,8,13,18-Tetramethylporphyrin-2,7,12,17-tetrayl)tetrapropionic acidCoproporphyrin I Dihydrochloride (>80%) (contains Coproporphyrin lll)Koproporphyrin I3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoic Acid Dihydrochloride;EINECS 208-502-3
Show more names
Coproporphyrin I-d8Coproporphyrin I, 85%(contains 13% Coproporphyrin lll)3,8,13,18-TetraMethyl- 2,7,12,17-porphinetetrapropionic Acid3,8,13,18-tetramethyl-21H,23H-Porphine-2,7,12,17-tetrapropanoic acid3,8,13,18-Tetramethyl-21H,23H-porphyrin-2,7,12,17-tetrapropionic acid3,8,13,18-Tetramethyl-21H,23H-porphyrin-2,7,12,17-tetrakispropionic acid3,8,13,18-Tetramethyl-21H,23H-porphyrin-2,7,12,17-tetrakispropanoic acid
NSC 267073BW4SWA9YWCCP-IC05769SCHEMBL578775SCHEMBL578776SCHEMBL29389011CHEBI:28421
Database identifiers
- CAS
531-14-6- PubChem CID
- 68271
- ChEBI
CHEBI:28421- UNII
- BW4SWA9YWC
- Nikkaji
- J1.145.650B、J14.377D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,170
Physicochemical properties
- Boiling point
- 1258 · 1258.0±65.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- Black
- FDA UNII
- 4 SWA9YWC · BW4SWA9YWC
- EPA Substance Registry System
- 21 H,23H-Porphine-2,7,12,17-tetrapropanoic · 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl- (531-14-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Applications
UsesCoproporphyrin I is a porphyrin, a naturally occuring aromatic heterocyclic marcomolecule. The ratio of Coproporphyrin I and Coproporphyrin III provides a useful biochemical marker for distinguishing familial and sporadic porphyria cutanea tarda. Coproporphyrin I also serve as a biomarker of environmental toxicity and susceptibility in autism.
Upstream & downstream products
Downstream products
Suppliers10 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
重庆博涛生物科技有限公司15223382610 · [email protected]
安徽敬同药业股份有限公司13675155016 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
Additional notes
DefinitionChEBI: Coproporphyrin I is a coproporphyrin. It has a role as a human metabolite. It is a conjugate acid of a coproporphyrin I(4-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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