3-Methoxybenzamide

HCID 98487
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
5813-86-5
Standard SMILES
COc1cccc(C(N)=O)c1
InChIKey
VKPLPDIMEREJJF-UHFFFAOYSA-N
Molecular formula
C8H9NO2
Average molar mass
151.16 g/mol
Monoisotopic mass
151.06332853

Names & identifiers

Preferred name
3-Methoxybenzamide
IUPAC
3-methoxybenzamide
English name
3-Methoxybenzamide
Molecular formula
C8H9NO2
Molecular weight
151.16

Names & synonyms

3-Methoxybenzamide5813-86-5m-Anisamidem-MethoxybenzamideBenzamide, 3-methoxy-M8502TLK983MBANSC-28589NSC-209527DTXSID00206848RefChem:94624DTXCID30129339
Show more names
3-MBA3-ANISAMIDE3-methoxy-benzamidButyryl-Coenzyme A sodium3-Methoxybenzamide, 10 mM in DMSO3-Methoxybenzamide , 3-Methoxybenzamide
227-379-73-Methoxy-benzamideMFCD00007986CHEMBL1239783MB3pax5-methoxybenzamidebenzamide, m-methoxy-

Database identifiers

CAS
5813-86-5
PubChem CID
98487
DTXSID
DTXSID00206848
ChEMBL
CHEMBL123978
UNII
M8502TLK98
EC Number
227-379-7
Nikkaji
J218.071E

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Kovats Retention Index1581

Physicochemical properties

Melting point
132.5 · 132.5-135.5 °C (lit.)
Boiling point
280 · 280.0±23.0 °C(Predicted)
Density
1.143 · 1.143±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,DMSO:PBS (pH 7.2) (1:1): 0.50 mg/ml,Ethanol: 1 mg/ml
form
A crystalline solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
CV5463333
hs_code
2924297099
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationChemicals and drugs that inhibit the action of POLY(ADP-RIBOSE)POLYMERASES.
Applications · 1 item

Uses3-Methoxybenzamide is act as an inhibitor of ADP-ribosyltransferase. It is also a weak inhibitor of the essential bacterial cell division protein FtsZ. Alkyl derivatives of 3-Methoxybenzamide are potent antistaphylococcal compounds with suboptimal drug-like properties.

Upstream & downstream products

Suppliers75 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
Changzhou Jiuwu Chemical co., Ltd.+86-0519-85121086 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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