CAS 111686-79-4 Remacemide Hydrochloride (HCID 60510)

Substructure search Find similar structures

Basic information

CAS: 111686-79-4
Standard SMILES: CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.Cl
InChIKey: HYQMIUSWZXGTCC-UHFFFAOYSA-N
Molecular formula: C17H21ClN2O
Average molar mass: 304.8 g/mol
Monoisotopic mass: 304.134241

Overview

See also: Remacemide (has active moiety).

Names & identifiers

Preferred name: Remacemide Hydrochloride
IUPAC: 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;hydrochloride
English name: 2-Amino-N-(1-methyl-1,2-diphenylethyl)acetamide hydrochloride
Molecular formula: C17H21ClN2O
Molecular weight: 304.82

Names & synonyms

REMACEMIDE HYDROCHLORIDE111686-79-4FPL 12924AAPR 934-423ADTXSID9045683FPL-12924AAI1ST2B6HIMPR-934-423ADTXCID7025683RefChem:178820Remacemide HClRemacemide (hydrochloride)

Show more names

pr934-423afpl12924aaRemacemideHCl2-diphenylethyl)acetamidemonohydrochloride(+-)-2-amino-n-(1-methyl-2-amino-n-(1-methyl-1,2-diphenylethyl)-,monohydrochloride,(+-)-acetamid

Remacemide hydrochloride [USAN]2-AMINO-N-(1-METHYL-1,2-DIPHENYLETHYL)ACETAMIDE HYDROCHLORIDE2-amino-N-(1,2-diphenylpropan-2-yl)acetamide hydrochloride2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;hydrochlorideAcetamide, 2-amino-N-(1-methyl-1,2-diphenylethyl)-, (+/-)- [CAS]FPL 12924AA; PR 934-423ARemacemide hydrochloride (USAN)SMR000466281

Database identifiers

CAS: 111686-79-4
PubChem CID: 60510
DTXSID: DTXSID9045683
ChEMBL: CHEMBL1448437

Properties

Computed structural properties

Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 306

Physicochemical properties

Melting point: 253 · 253-254°
storage temp.: room temp
solubility: 2 O: · H2O: >10mg/mL
form: powder
color: white to beige
Water Solubility: 100 mM · Soluble to 100 mM in water
InChI: 1S/C17H20N2O.ClH/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2-11H,12-13,18H2,1H3,(H,19,20);1H
InChIKey: HYQMIUSWZXGTCC-UHFFFAOYSA-N
SMILES: Cl.CC(Cc1ccccc1)(NC(=O)CN)c2ccccc2
FDA UNII: 1 ST2B6HIM · I1ST2B6HIM
UNSPSC Code: 12352200 · 12352200
NACRES: 77 · NA.77
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H318-H400
Precautionary statements: 273 · P273-P280-P301+P312+P330-P305+P351+P338+P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
rtecs: AB4349500
ridadr: UN 3077 9 / PGIII
Toxicity: LD50 (calculated as base) in rats (mg/kg): ~50 i.v., ~900 orally (Muir, Palmer)
risk_code: 22-41-50/53
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: Xn,N
safety_code: 26-39-45-60-61
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H318-H400
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1
Precautionary statements: P273-P280-P301+P312+P330-P305+P351+P338+P310

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Drugs used to prevent SEIZURES or reduce their severity.

Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.