N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide

CAS: 1097774-72-5

Molecular Formula	`C18H33ClN2O5S`
Molecular Weight	425.0 g/mol
LogP	2.2
Topological Polar Surface Area	128.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	424.17987
Heavy Atoms	27
Complexity	502.0

Chemical Identifiers

CAS Number	1097774-72-5
SMILES	`CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl`
InChIKey	`KDLRVYVGXIQJDK-UHFFFAOYSA-N`

📖 Product Overview

N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide (CAS: 1097774-72-5) is a chemical compound with molecular formula C18H33ClN2O5S and molecular weight 425.0 g/mol. Its IUPAC systematic name is N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide. LogP 2.2 Topological Polar Surface Area 128.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 424.17987 Heavy Atoms 27 Complexity 502.0 InChI Key: KDLRVYVGXIQJDK-UHFFFAOYSA-N. SMILES: CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide.

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