Basic information
- CAS
21702-93-2- Standard SMILES
N#Cc1ccc(NC(=O)N=C(N)N)cc1Cl- InChIKey
FEYBPSKVORXMON-UHFFFAOYSA-N- Molecular formula
- C9H8ClN5O
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0417376
Overview
Cloguanamil is a small molecule drug. Cloguanamil has a monoisotopic molecular weight of 237.04 Da.
Names & identifiers
- Preferred name
- Cloguanamil
- IUPAC
- 1-(3-chloro-4-cyanophenyl)-3-(diaminomethylidene)urea
- English name
- Cloguanamil
- Molecular formula
- C9H8ClN5O
- Molecular weight
- 237.65
Names & synonyms
CLOGUANAMIL21702-93-2cloguanamiloCloguanamilum57C651-Amidino-3-(3-chloro-4-cyanophenyl)urea24484LU3FJDTXSID40176091RefChem:127050DTXCID20985821-(3-chloro-4-cyanophenyl)-3-(diaminomethylidene)urea3-CARBAMIMIDOYL-1-(3-CHLORO-4-CYANOPHENYL)UREA
Show more names
Urea, N-(aminoiminomethyl)-N'-(3-chloro-4-cyanophenyl)-
1-amidino-3-(3-chloro-4-cyanophenyl) ureaCloguanamil [INN]Cloguanamil [INN:BAN]Cloguanamilum [INN-Latin]UNII-24484LU3FJSCHEMBL2110741CHEMBL1697687WAA70293
Database identifiers
- CAS
21702-93-2- PubChem CID
- 30760
- DTXSID
DTXSID40176091- ChEMBL
CHEMBL1697687- UNII
- 24484LU3FJ
- EC Number
- 839-423-8
- Nikkaji
- J10.793J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
LogP1.9
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 15.96 · 15.96±0.70(Predicted)
- FDA UNII
- 24484 LU3FJ · 24484LU3FJ
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H332-H312-H318-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H332-H312-H318-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers3 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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