Netobimin

HCID 71449

Basic information

CAS
88255-01-0
Standard SMILES
CCCSc1ccc([N+](=O)[O-])c(NC(=NCCS(=O)(=O)O)NC(=O)OC)c1
InChIKey
WCBVUETZRWGIJQ-UHFFFAOYSA-N
Molecular formula
C14H20N4O7S2
Average molar mass
420.5 g/mol
Monoisotopic mass
420.07734098

Overview

Netobimin is a small molecule drug. Netobimin has a monoisotopic molecular weight of 420.08 Da.

Names & identifiers

Preferred name
Netobimin
IUPAC
2-[[(methoxycarbonylamino)-(2-nitro-5-propylsulfanylanilino)methylidene]amino]ethanesulfonic acid
English name
NETOBIMIN
Molecular formula
C14H20N4O7S2
Molecular weight
420.46

Names & synonyms

Netobimin88255-01-0NetobimineNetobiminaSch 32481NetobiminumU30C54N3MUDTXSID20236925SCH-32481tobatinRefChem:832389N-methoxycarbonyl-N'-(2-nitro-5-propylphenylthio)-N''-(2-ethylsulfonic acid)guanidine
Show more names
CS-587HapadexNeviyapineNETOBIMIN USP/EP/BPamino)methylene)amino)-ethanesulfonicacid,2-(((methoxycarbonyl)amino)((2-nitro-5-(propylthio)phenyl)2-[3-Methoxycarbonyl-2-[2-nitro-5-(propylthio)phenyl]guanidino]ethanesulfonic acidEthanesulfonic acid, 2-(methoxycarbonyl)amino2-nitro-5-(propylthio)phenylaminomethyleneamino-
DTXCID50159416686-284-22-[[(methoxycarbonylamino)-(2-nitro-5-propylsulfanylanilino)methylidene]amino]ethanesulfonic acidHapasilEthanesulfonic acid, 2-((((methoxycarbonyl)amino)((2-nitro-5-(propylthio)phenyl)imino)methyl)amino)-Netobimine [French]Netobiminum [Latin]Netobimina [Spanish]

Database identifiers

CAS
88255-01-0
PubChem CID
71449
DTXSID
DTXSID20236925
ChEMBL
CHEMBL2105153
UNII
U30C54N3MU
EC Number
686-284-2
Nikkaji
J134.938D

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
197 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
27

Physicochemical properties

Melting point
215 ° · 215° (dec)
Density
1.48 · 1.48±0.1 g/cm3(Predicted)
pka
7.18 · 7.18±0.46(Predicted)
CAS DataBase Reference
88255 · 88255-01-0(CAS DataBase Reference)
FDA UNII
30 C54N3MU · U30C54N3MU
Symbol(GHS)
8 · GHS08,GHS07,GHS06

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P203, P260, P264, P264+P265, P270, P271, P280, P284, P304+P340, P305+P351+P338, P316, P318, P319, P320, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 1 item

Ethanesulfonic acid, 2-(methoxycarbonyl)amino2-nitro-5-(propylthio)phenylaminomethyleneamino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS08,GHS07,GHS06
Hazard statements
H330-H372-H319-H361
Precautionary statements
P201-P202-P281-P308+P313-P405-P501-P260-P264-P270-P314-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Pharmacology

ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationAgents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.

Applications

UsesPhenylguanidine anthelmintic. Anthelmintic.

Preparation methods · 1 item

PreparationNevirapine was prepared by reacting 2-chloro-N-(2-chloro-4-methyl-3-pyridyl)-3-pyridinecarbosilane with cyclopropylamine and cyclizing. The amination reaction was carried out at 130–150 °C for 5–8 hours using diethylene glycol dimethyl ether as the solvent and alkaline earth metals, zinc oxides, or hydroxides such as calcium oxide as the catalyst. The cyclization reaction also used diethylene glycol dimethyl ether as the inert solvent and sodium hydride as the catalyst, at 120–150 °C for 30–90 minutes. The solution was then distilled off, and the residue was hydrolyzed at 20–90 °C. After cooling, the hydrolysis residue was mixed with an inert solvent and an organic acid and stirred at 5–50 °C for 30–90 minutes. The product existed as a suspension. Separation, washing with water, and washing with alcohol yielded the target product, with a theoretical yield of 81.7–83.5%.

Upstream & downstream products

Downstream products

Suppliers54 total

北京华美互利生物化工010-56205725 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

Related reactions

0 records

No reaction records under the current filter.

Compound notes

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