Basic information
- CAS
4174-74-7- Standard SMILES
CC[n+]1c(-c2ccccc2)c2cc(N=NNc3cccc(C(=N)N)c3)ccc2c2ccc(N)cc21.Cl.[Cl-]- InChIKey
URSFPCGNENDEFB-UHFFFAOYSA-N- Molecular formula
- C28H27Cl2N7
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 531.1704993
Names & identifiers
- Preferred name
- Samorin
- IUPAC
- 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;chloride;hydrochloride
- English name
- 8-[3-(m-amidinophenyl)-2-triazeno]-3-amino-5-ethyl-6-phenylphenanthridinium chloride hydrochloride
- Molecular formula
- C28H27Cl2N7
- Molecular weight
- 532.47
Names & synonyms
Samorin6798-24-9Isometamidium hydrochlorideNSC-5245036A4LXY935HPhenanthridinium, 3-amino-8-(3-(3-(aminoiminomethyl)phenyl)-1-triazenyl)-5-ethyl-6-phenyl-, chloride, monohydrochloridePhenanthridinium, 3-amino-8-[3-[3-(aminoiminomethyl)phenyl]-1-triazenyl]-5-ethyl-6-phenyl-, chloride, monohydrochlorideRefChem:547365229-873-8Isometamidium chloride hydrochloride3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;chloride;hydrochlorideEINECS 229-873-8
Show more names
Nsc524503IsometamidiumchlorideHClURSFPCGNENDEFB-UHFFFAOYSA-NIsomidium chloride hydrochlorideIsometamidiumchloridehydrochlorideIsometamidium chloride hydrochloride 1000 μg/mL in Acetonitrile:Water8-[3-(m-amidinophenyl)-2-triazeno]-3-amino-5-ethyl-6-phenylphenanthridinium chloride hydrochloridePhenanthridinium, 8-[3-(m-amidinophenyl)-2-triazeno]-3-amino-5-ethyl-6-phenyl-, chloride, monohydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 735
Physicochemical properties
- Melting point
- 222 °C · >222°C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Red to Very Dark Red
- Stability
- Hygroscopic
- FDA UNII
- 6 A4LXY935H · 6A4LXY935H
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 36 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.2%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents destructive to the protozoal organisms belonging to the suborder TRYPANOSOMATINA.
Uses & manufacturing
Use ClassificationVeterinary Drug -> TRYPANOCIDE -> JECFA Functional Classes
Applications
UsesIsometamidium Chloride Hydrochloride, can be used in complex with dextran having therapeutic activity against Tiypanosoma vivax infection in Zebu cattle. It is an antitrypanosomal agent.
Usesantiacne, antipsoriatric
Suppliers13 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
无锡鸣鹭医药科技有限公司0510-88726693 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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