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Pyrrolnitrin

Pyrrolnitrin structure

CAS No:
1018-71-9
Formula:
C10H6Cl2N2O2
Chemical Name:
Pyrrolnitrin
Synonyms:
1H-Pyrrole,3-chloro-4-(3-chloro-2-nitrophenyl)-;Pyrrole,3-chloro-4-(3-chloro-2-nitrophenyl)-;3-Chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole;Pyrrolnitrin;Pyrrolnitrine;Pyroace;NSC 107654;PN;NSC 637277;3-Chloro-4-(3′-chloro-2′-nitrophenyl)pyrrole
Categories:
Active Pharmaceutical Ingredients > Hormones and the Endocrine System

Description

ChEBI: A member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively.

Pyrrolnitrin is a member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively. It has a role as a bacterial metabolite and an antifungal drug. It is a member of pyrroles, a member of monochlorobenzenes, a C-nitro compound and an alkaloid.|Pyrrolnitrin is a pyrrole antifungal agent isolated from several Pseudomonas species. Pyrrolnitrin interrupts the terminal electron transport system and inhibits cellular respiration. This agent has activity against dermatophytic fungi, especially species of Trichophyton.|3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole. Antifungal antibiotic isolated from Pseudomonas pyrrocinia. It is effective mainly against Trichophyton, Microsporium, Epidermophyton, and Penicillium.

Pyrrolnitrin Basic Attributes

Molecular Weight：

257.07

Exact Mass：

257.07

EC Number：

213-812-7

UNII：

N0P24B6EDQ

NSC Number：

637277|107654

DSSTox ID：

DTXSID9046867

NCI Thesaurus Code：

C81509

ATC Code：

D - Dermatologicals

HScode：

2933990090

Characteristics

PSA：

61.6

XLogP3：

4.41990

Density：

1.5834 (rough estimate)

Melting Point：

124.5 °C

Boiling Point：

410.5±45.0 °C(Predicted)

Flash Point：

202.1ºC

Refractive Index：

1.6100 (estimate)

Vapor Pressure：

1.42E-06mmHg at 25°C

Toxicity：

LD50 in rats, rabbits (mg/kg): 68, 105 i.p. (Nishida)

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 127 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

MeSH Entry Terms：

Pyrrolnitrin

Pyrrolnitrin Use and Manufacturing

Antifungal.

Computed Properties

Molecular Weight:257.07
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:255.9806328
Monoisotopic Mass:255.9806328
Topological Polar Surface Area:61.6
Heavy Atom Count:16
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Pyrrolnitrin

CAS No.: 1018-71-9

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