Calebassine

28,38-di(ethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniadodecacyclo[25.5.2.211,14.11,26.110,17.02,7.09,25.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,18,20,22-hexaene-35,36-diol

CAS: 7257-29-6

Molecular Formula	`C40H48N4O2+2`
Molecular Weight	616.8 g/mol
LogP	3.7
Topological Polar Surface Area	46.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	616.37775
Heavy Atoms	46
Complexity	1400.0

Chemical Identifiers

CAS Number	7257-29-6
SMILES	`CC=C1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(CC2=CC)C)O)C1=CC=CC=C41)O)C`
InChIKey	`HVWCEUHZKLPKRE-UHFFFAOYSA-N`

📖 Product Overview

Calebassine (CAS: 7257-29-6) is a chemical compound with molecular formula C40H48N4O2+2 and molecular weight 616.8 g/mol. Its IUPAC systematic name is 28,38-di(ethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniadodecacyclo[25.5.2.211,14.11,26.110,17.02,7.09,25.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,18,20,22-hexaene-35,36-diol. LogP 3.7 Topological Polar Surface Area 46.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 0 Exact Mass 616.37775 Heavy Atoms 46 Complexity 1400.0 InChI Key: HVWCEUHZKLPKRE-UHFFFAOYSA-N. SMILES: CC=C1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(CC2=CC)C)O)C1=CC=CC=C41)O)C.

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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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