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Porphobilinogen

Porphobilinogen structure

CAS No:
487-90-1
Formula:
C10H14N2O4
Chemical Name:
Porphobilinogen
Synonyms:
1H-Pyrrole-3-propanoic acid,5-(aminomethyl)-4-(carboxymethyl)-;Pyrrole-3-propionic acid,5-(aminomethyl)-4-(carboxymethyl)-;5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propanoic acid;PBG;Porphobilinogen;3-[5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid hydrate;1189314-12-2;2118404-09-2
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Porphobilinogen could act as a phototoxin, a neurotoxin, and a metabotoxin.

Solid

Porphobilinogen is a dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively. It has a role as a metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of pyrroles, a dicarboxylic acid and an aralkylamino compound. It is a conjugate acid of a porphobilinogen(1-).|Porphobilinogen is a pyrrole involved in porphyrin metabolism. It is generated by the enzyme ALA dehydratase, and converted into hydroxymethyl bilane by the enzyme porphobilinogen deaminase.

Porphobilinogen Basic Attributes

Molecular Weight：

226.232

Exact Mass：

226.23

EC Number：

207-666-3

UNII：

74KHC72QXK

DSSTox ID：

DTXSID4060070

HScode：

2933990090

Characteristics

PSA：

116

XLogP3：

0.81800

Appearance：

Solid

Density：

1.421g/cm3

Melting Point：

170-174 °C (decomp)

Boiling Point：

478.6ºC at 760 mmHg

Flash Point：

243.2ºC

Refractive Index：

1.621

Collision Cross Section：

148.1 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|146.22 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

Porphobilinogen

Porphobilinogen Use and Manufacturing

Uses

An intermediate in the biosynthesis of Heme, found in the urine of patients with acute porphyria.

Manufacturing Info：

1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-: INACTIVE

Computed Properties

Molecular Weight:226.23
XLogP3:-3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:226.09535693
Monoisotopic Mass:226.09535693
Topological Polar Surface Area:116
Heavy Atom Count:16
Complexity:270
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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