3-Isoquinolinecarboxylicacid,5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methyl-1H-imidazol-4-yl]thio]-1,2,3,4-tetrahydro-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-,(1R,3R)-

Modify Date: 2025-09-20 05:14:04

3-Isoquinolinecarboxylicacid,5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methyl-1H-imidazol-4-yl]thio]-1,2,3,4-tetrahydro-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-,(1R,3R)- structure	Common Name	3-Isoquinolinecarboxylicacid,5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methyl-1H-imidazol-4-yl]thio]-1,2,3,4-tetrahydro-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-,(1R,3R)-
	CAS Number	105372-70-1	Molecular Weight	514.55100
	Density	1.62g/cm3	Boiling Point	845.8ºC at 760mmHg
	Molecular Formula	C₂₄H₂₆N₄O₇S	Melting Point	N/A
	MSDS	N/A	Flash Point	465.3ºC

Name	Imbricatine
Synonym	More Synonyms

Density	1.62g/cm3
Boiling Point	845.8ºC at 760mmHg
Molecular Formula	C₂₄H₂₆N₄O₇S
Molecular Weight	514.55100
Flash Point	465.3ºC
Exact Mass	514.15200
PSA	216.46000
LogP	2.55430
Vapour Pressure	2.11E-30mmHg at 25°C
Index of Refraction	1.748
InChIKey	BBIABWPNIDKRLX-ARFHVFGLSA-N
SMILES	Cn1cnc(Sc2c(O)cc(O)c3c2CC(C(=O)O)NC3Cc2ccc(O)cc2)c1CC(N)C(=O)O

Precursor 0
DownStream 2
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