1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamate;hydrochloride
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![1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamate;hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4d2829a277374f6c80fac5a9c4bd7776.png "1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamate;hydrochloride")
1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamate;hydrochloride
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CAS No:
183023-30-5
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Formula:
C30H31ClN4O4
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Chemical Name:
1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamate;hydrochloride
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Synonyms:
(1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-((1-(4-pyridinyl)ethyl)amino)ethyl)carbamic acid 2-benzofuranylmethyl ester;CAM 4750;CAM-4750;183023-30-5;CAM 4750;DTXSID90939673;Carbamic acid, ((1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-(methyl((1S)-1-(4-pyridinyl)ethyl)amino)-2-oxoethyl)-, 2-benzofuranylmethyl ester, monohydrochloride;Carbamic acid, (1-(1H-indol-3-ylmethyl)-1-methyl-2-(methyl(1-(4-pyridinyl)ethyl)amino)-2-oxoethyl)-, 2-benzofuranylmethyl ester, monohydrochloride, (S-(R*,S*))-;Nalpha-{[(1-Benzofuran-2-yl)methoxy](hydroxy)methylidene}-N,alpha-dimethyl-N-[1-(pyridin-4-yl)ethyl]tryptophanamide--hydrogen chloride (1/1)
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CAS No:
1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamate;hydrochloride Basic Attributes
547.0 g/mol
546.2033832 g/mol
Drug Information
Compounds that inhibit or block the activity of NEUROKININ-1 RECEPTORS. (See all compounds classified as Neurokinin-1 Receptor Antagonists.)
(1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-((1-(4-pyridinyl)ethyl)amino)ethyl)carbamic acid 2-benzofuranylmethyl ester
Computed Properties
Molecular Weight:547.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:546.2033832
Monoisotopic Mass:546.2033832
Topological Polar Surface Area:101
Heavy Atom Count:39
Complexity:820
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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