Cino-bufotoxin

2-[[8-[[(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(2-oxopyran-4-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

CAS: 60113-07-7

Molecular Formula	`C40H58N4O10`
Molecular Weight	754.9 g/mol
LogP	3.7
Topological Polar Surface Area	222.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	18
Exact Mass	754.4153
Heavy Atoms	54
Complexity	1570.0

Chemical Identifiers

CAS Number	60113-07-7
SMILES	`CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O)C)C)C6=CC(=O)OC=C6`
InChIKey	`JYDJGHJTGIKKPD-JARWKFDMSA-N`

📖 Product Overview

Cino-bufotoxin (CAS: 60113-07-7) is a chemical compound with molecular formula C40H58N4O10 and molecular weight 754.9 g/mol. Its IUPAC systematic name is 2-[[8-[[(2S,4R,5R,6R,7R,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(2-oxopyran-4-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid. LogP 3.7 Topological Polar Surface Area 222.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 11 Rotatable Bonds 18 Exact Mass 754.4153 Heavy Atoms 54 Complexity 1570.0 InChI Key: JYDJGHJTGIKKPD-JARWKFDMSA-N. SMILES: CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O)C)C)C6=CC(=O)OC=C6.

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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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