1-Methylindole-3-carboxylic acid - CAS 32387-21-6

Catalog:	BB021275
Product Name:	1-Methylindole-3-carboxylic acid
CAS:	32387-21-6
Synonyms:	1-methylindole-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-methylindole-3-carboxylic acid
Description:	An impurity of Ramosetron.Ramosetron is a serotonin 5-HT3 receptor antagonist for the treatment of nausea and vomiting.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	CN1C=C(C2=CC=CC=C21)C(=O)O
InChI:	InChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13)
InChI Key:	HVRCLXXJIQTXHC-UHFFFAOYSA-N
Boiling Point:	389 °C at 760 mmHg
Purity:	> 95 %
Density:	1.24 g/cm³
Appearance:	White powder
MDL:	MFCD01321244
LogP:	1.87650

Publication Number	Title	Priority Date
WO-2021201120-A1	Agent for treating inflammatory bowel disease, and amide compound or salt thereof	20200331
WO-2021201126-A1	Amide compound or salt thereof, pharmaceutical composition and histone deacetylase inhibitor	20200331
CN-111196801-A	Aporphine alkaloid derivative and preparation method and application thereof	20200114
CN-112898224-A	Allyl alcohol-supported macrolide compound and application thereof	20191204
CN-112442010-A	Prodrug compound and application thereof in treating cancer	20190830

PMID	Publication Date	Title	Journal
21126022	20110113	Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[496-15-1]
Indoline
[496-12-8]
Isoindoline

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.063328530
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8