Moclobemide

HCID 4235CAS 71320-77-9

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Basic information

Standard SMILES: O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
InChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-N
Molecular formula: C13H17ClN2O2
Average molar mass: 268.744 g/mol
Monoisotopic mass: 268.09785546

Names & identifiers

Preferred name: Moclobemide
IUPAC: 4-Chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
English name: Moclobemide
Molecular formula: C13H17ClN2O2
Molecular weight: 268.74

Names & synonyms

Moclobemide (Ro 111163)4-chloro-N-(2-morpholinoethyl)benzamideManefixCS-1682manerixaurorixMoclaimeMoclamineMODOBEMDEMoclamide

Database identifiers

CAS: 71320-77-9
PubChem CID: 4235
DTXSID: DTXSID9040554
ChEMBL: CHEMBL86304
ChEBI: CHEBI:83531
UNII: PJ0Y7AZB63
EC Number: 636-108-5
Nikkaji: J19.047K

Properties

Physicochemical properties

Melting point: 137 °C · 137°C
Boiling point: 447.7 · 447.7±40.0 °C(Predicted)
Density: 1.206 · 1.206±0.06 g/cm3(Predicted)
storage temp.: room temp
solubility: 20 mg/mL · DMSO: >20mg/mL
pka: 14.26 · 14.26±0.46(Predicted)
form: solid
color: white
Merck: 14 · 14,6226
InChI: InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-N
SMILES: C(NCCN1CCOCC1)(=O)C1=CC=C(Cl)C=C1
CAS DataBase Reference: 71320 · 71320-77-9(CAS DataBase Reference)
FDA UNII: 0 Y7AZB63 · PJ0Y7AZB63
ATC code: 6 AG02 · N06AG02
NIST Chemistry Reference: Moclobemide(71320-77-9)
UNSPSC Code: 12352200 · 12352200
NACRES: 77 · NA.77
Protein binding: 50 % · 50%
Excreted unchanged in urine: 1 % · <1%
Volume of distribution: 1 · 1(L/kg)
Biological half-life: 2 · 2-4 / Unchanged
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,T+
Risk Statements: 22 · 22-37/38-41-26/27/28
Safety Statements: 26 · 26-39-45-36/37/39-22
RIDADR: 3249 · 3249
WGK Germany: 2 · 2
RTECS: 2462000 · CV2462000
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Hazardous Substances Data: 71320 · 71320-77-9(Hazardous Substances Data)
Toxicity: 50 in · LD50 in rats (mg/kg): 707 orally (Burkard, Wyss)

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
rtecs: CV2462000
ridadr: 3249
hs_code: 29349990
Toxicity: LD50 in rats (mg/kg): 707 orally (Burkard, Wyss)
risk_code: 22-37/38-41-26/27/28
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn,T+
safety_code: 26-39-45-36/37/39-22
hazard_class: 6.1(b)
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Hazardous Substances Data: 71320-77-9(Hazardous Substances Data)

Chemistry & industry

Applications · 4 items

DescriptionMoclobemide is the first of a new generation of non-hydrazine, reversible MAO-A inhibitors useful in the treatment of depression. Moclobemide is a selective inhibitor of MAO-A, allowing tyramine to be metabolized by MAO-B. In controlled studies, moclobemide was clinically superior to desipramine and showed no cholinergic or cardiovascular side-effects. A metabolite is currently under investigation for treatment of Parkinson’s disease,.

DescriptionMoclobemide (Item No. 24361) is an analytical reference standard categorized as an antidepressant. This product is intended for research and forensic applications.

UsesA reversible monoamine oxidase inhibitor.

UsesAntidepressant;Mono amine oxidase inhibitor (Type A)

Upstream & downstream products

Upstream raw materials

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Additional notes · 1 item

DefinitionChEBI: A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression.