Basic information
- CAS
64-55-1- Standard SMILES
CCC(C)C(C)(COC(N)=O)COC(N)=O- InChIKey
LEROTMJVBFSIMP-UHFFFAOYSA-N- Molecular formula
- C10H20N2O4
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.14230712
Overview
Mebutamate is an organic molecular entity.
Names & identifiers
- Preferred name
- Mebutamate
- IUPAC
- [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
- English name
- 2-Methyl-2-(1-methylpropyl)-1,3-propanediol dicarbamate
- Molecular formula
- C10H20N2O4
- Molecular weight
- 232.28
Names & synonyms
MebutamateMebutamatMebutinaButatensinIpotensivoMioartrina64-55-1CarbutenDormateEncaplaPreminexSigmafon
Show more names
W 583
ValleneAxitenCaplaDicamoylmethtanePreanDicamoylmethaneNO-Press2,2-Dicarbamyloxymethyl-3-methylpentane
Database identifiers
- CAS
64-55-1- PubChem CID
- 6151
- DTXSID
DTXSID1023239- ChEMBL
CHEMBL1200922- ChEBI
CHEBI:31804- UNII
- 5H8F175RER
- EC Number
- 200-587-5
- Nikkaji
- J1.403F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
DEA Schedule IV Controlled Substance -> Depressants
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point77-79
Physicochemical properties
- Melting point
- 77 · 77-79°
- Boiling point
- 374.44 °C · 374.44°C (rough estimate)
- Density
- 1.1633 · 1.1633 (rough estimate)
- refractive index
- 1.471 · 1.4710 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 H8F175RER · 5H8F175RER
- ATC code
- 5 BC04 · N05BC04
- Symbol(GHS)
- 7 · GHS07
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
Regulatory InformationDEA schedule IV controlled substance
Other Safety InformationIMAP assessments - 1,3-Propanediol, 2-methyl-2-(1-methylpropyl)-, dicarbamate: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 oral in rat: 1160mg/kg
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Applications
UsesAntihypertensive.
Upstream & downstream products
Upstream raw materials
Suppliers18 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
InvivoChem中国13549236410 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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