What is the molecular formula of Meprobamate?

Meprobamate has a molecular formula of C 9 H 18 N 2 O 4

What is the InChI Key of Meprobamate molecule?

The InChI Key of Meprobamate is: NPPQSCRMBWNHMW-UHFFFAOYSA-N.

What is the molecular weight of Meprobamate?

Meprobamate presents a molecular weight of 218.25 g/mol.

Meprobamate

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Meprobamate are summarized together with 3D and 2D structures and relevant physico-chemical properties.

Table of Contents

1. What is Meprobamate?
2. 3D Structure
3. Cartesian coordinates
4. 2D Drawing
5. Molecule descriptors
6. Physico-Chemical properties

What is the Meprobamate?

The molecule Meprobamate presents a molecular formula of C₉H₁₈N₂O₄ and its IUPAC name is [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate.

Meprobamate is a molecule used as an anticonvulsant and muscle relaxant. It is structurally similar to the neurotransmitter GABA, and works by binding to GABA receptors and inhibiting their activity. Meprobamate has a wide range of side effects, including drowsiness, dizziness, and confusion, and should not be used by people with a history of substance abuse or addiction..

3D structure

Cartesian coordinates

Geometry of Meprobamate in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

Meprobamate NPPQSCRMBWNHMW-UHFFFAOYSA-N chemical compound 2D structure molecule svg — Meprobamate

Molecule descriptors

IUPAC name	[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
InChI code	InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChI Key	NPPQSCRMBWNHMW-UHFFFAOYSA-N
SMILES	CCCC(C)(COC(N)=O)COC(N)=O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

({2-[(C-hydroxycarbonimidoyloxy)methyl]-2-methylpentyl}oxy)carboximidic acid
063M428
1, 2-methyl-2-propyl-, dicarbamate
1,3-Propanediol, 2-methyl-2-propyl-, 1,3-dicarbamate
1,3-Propanediol, 2-methyl-2-propyl-, dicarbamate
2,2-Di(carbamoyloxymethyl)pentane
2-Methyl-2-n-propyl-1,3-propanediol dicarbamate
2-Methyl-2-propyl-1,3-propanediol dicarbamate
2-Methyl-2-propyltrimethylene carbamate
2-Metil-2-n-propil-1,3-propanediol dicarbamato
2-[(carbamoyloxy)methyl]-2-methylpentyl carbamate
2-methyl-2-propyl-1,3-propanediyldicarbamate
3P Bamate
57-53-4
9I7LNY769Q
Amepromat
Amosene
Anastress
Anathylmon
Anatimon
Andaksin
Andaxin
Aneural
Aneurol
Aneusral
Aneuxal
Aneuxral
Ansiatan
Ansietan
Ansil
Ansiowas
Anural
Anxietil
Anzil
Apascil
Apasil
Appetrol
Appetrol-Sr
Arcoban
Arpon
Artolon
Ataraxine
Atraxin
Auxietil
Ayeramate
Ayermate
BRN 1788882
Bamate
Bamd 400
Bamo 400
Biobamat
Biobamate
Brobamate
Calmadin
Calmax
Calmiren
Canquil 400
Canquil-400
Cap-O-Tran
Carb-A-Med
Carbamic acid 2-methyl-2-propyltrimethylene ester
Carbamic acid, 2-methyl-2-propyltrimethylene ester
Carbaxin
Carisoprodol EP Impurity D; Meprobamate
Cirpon
Cirponyl
Coprobate
Crestanil
Cypron
Cyrpon
D00376
DB00371
DEA No. 2820
DSSTox_CID_3261
DSSTox_GSID_23261
DSSTox_RID_76946
Dapaz
Deprol
Despasmol
Diamino 3-methyl-3-propylglutarate; 2-methyl-2-propylpropane-1,3-diyl dicarbamate; [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
Dicandiol
Diron
Diurnal
Diurnaldiverondormabrol
Diveron
Dormabrol
EQUAGESIC COMPONENT MEPROBAMATE
Ecuanil
Edenal
Enorden
Epicur
Epikur
Equanil
Equanil suspension
Equatrate
Equazine-M
Equilium
Equinil
Equitar
Erina
Estasil
Fas-Cile
Fas-Cile 200
GTPL7225
Gadexyl
Gagexyl
HSDB 3117
Harmonin
Hartol
Holbamate
Ipsotian
Kesso-Bamate
Kessobamate
Klort
Larten
Lepenil
Lepetown
Letyl
Libiolan
MEPRO-ASPIRIN COMPONENT MEPROBAMATE
MEPROBAMATE COMPONENT OF EQUAGESIC
MEPROBAMATE COMPONENT OF MEPRO-ASPIRIN
MEPROBAMATE COMPONENT OF MICRAININ
MEPROBAMATE COMPONENT OF Q-GESIC
MICRAININ COMPONENT MEPROBAMATE
MLS003899229
Mar-Bate
Margonil
Mendel
Mepamtin
Mepantin
Mepavlon
Mepiosine
Meposed
Mepr
Mepranil
Mepriam
Meprin
Meprindon
Mepro-analgesic
Meprobam
Meprobamat
Meprobamat-Petrasch
Meprobamate
Meprobamate (JAN/USP/INN)
Meprobamate 1.0 mg/ml in Methanol
Meprobamate and Aspirin Tablets
Meprobamate civ
Meprobamato
Meprobamatum
Meprobamic acid
Meproban
Meprocompren
Meprocon
Meprocon CMC
Meprodil
Meprodiol
Meprol
Meproleaf
Meprosa
Meprosan
Meprosin
Meprospan
Meprospan-200
Meprospan-400
Meprotabs
Meprotan
Meprotanum
Meproten
Meprotil
Meprovan
Meprovanmeprozine
Meptran
Meptranactylmilprem
Metractyl
Metranquil
Micrainin
Microbamat
Milpath
Milprem
Miltamato
Miltann
Miltaun
Miltown
Miltown 600
Miltrate
Miltuan
Miltwon
Misedant
Morbam
Multaun
My-trans
NCGC00091031-01
NCGC00091031-02
NCGC00257886-01
NSC 30418
NSC-30418
NSC30418
Neo-Tran
Nephentine
Nervonus
Neuramate
Oasil
Optarket
Orlevol
Orolevol
PMB-200
PMB-400
Pan-tranquil
Pancalma
Panediol
Pankalma
Pathibamate
Paxin
Pensive
Perequietil
Perequil
Perquietil
Pertranquil
Pimal
Placidon
Placitate
Prequil
Probamato
Probamyl
Procalmadiol
Procalmadol
Procalmidol
Procarbamide
Promate
Promato
Proquanil
Protran
Q-GESIC COMPONENT MEPROBAMATE
Q418351
Quaname
Quanane
Quanil
Quietidon
Quivet
Rastenil
Reostral
Restenil
Restenyl
Restinal
Restinil
Robamate
SK-Bamate
SMR000058750
SR-01000937605
SR-01000937605-2
Sadanyl
Scolazil
Sedabamate
Sedanil
Sedanyl
Sedazil
Sedoquil
Sedoselecta
Selene
Seril
Setran
Shalvaton
Solevione anastress
Sowell
Spantran
Stensolo
Tamate
Tensol
Tensonal
Trankvilan
Tranlisant
Tranmep
Tranquilan
Tranquilate
Tranquilax
Tranquiline
Tranquiline (Intra)
Tranquilsan
Tranquinol
Trelmar
Urbil
Urbilat
Vio-Bamate
Vistabamate
W-105461
WLN: ZVO1X3&1&1OVZ
Wardamate
Wyseals
Zirpon
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
component of Appetrol
component of Equalysen
component of Milpath
component of Milprem
component of Miltrate
component of PMB-400
meprobamate

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

ZINC1530701
CAS-57-53-4
UNII-9I7LNY769Q
AKOS003617983
DTXSID3023261
CHEMBL979
CHEBI:6761
Tox21_111063
Tox21_200332
EINECS 200-337-5
SCHEMBL15286

Physico-Chemical properties

IUPAC name	[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
Molecular formula	C₉H₁₈N₂O₄
Molecular weight	218.25
Melting point (ºC)
Boiling point (ºC)
Density (g/cm³)
Molar refractivity	53.88
LogP	2.4
Topological polar surface area	104.6

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(K_ow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å² are required. Thus, molecules with a polar surface area greater than 140 Å² tend to be poorly permeable to cell membranes.