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139643-79-1 | tetronothiodin
CAS No: 139643-79-1 Catalog No: AG00A9F1 MDL No:
Product Description
Catalog Number:
AG00A9F1
Chemical Name:
tetronothiodin
CAS Number:
139643-79-1
IUPAC Name:
2-[(8E,10E,15E)-13,28-dihydroxy-3,4,18-trimethyl-24,26-dioxo-27-oxa-21-thiatetracyclo[23.2.1.01,6.019,23]octacosa-4,8,10,15,25(28)-pentaen-20-yl]-2-oxoacetic acid
InChI:
InChI=1S/C31H38O8S/c1-17-10-8-9-13-21(32)12-7-5-4-6-11-20-14-18(2)19(3)15-31(20)28(35)24(30(38)39-31)25(33)22-16-40-27(23(17)22)26(34)29(36)37/h4-9,14,17,19-23,27,32,35H,10-13,15-16H2,1-3H3,(H,36,37)/b6-4+,7-5+,9-8+
InChI Key:
WWHAZVYADWRKPA-SFYXYOTASA-N
Properties
Complexity:
1210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
570.229g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
570.697g/mol
Monoisotopic Mass:
570.229g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Species specificity of pharmacological characteristics of CCK-B receptors. | Neuroscience letters 19930806 |
| Tetronothiodin, a novel CCKB receptor ligand, antagonizes cholecystokinin-induced Ca2+ mobilization in a pituitary cell line. | European journal of pharmacology 19921006 |
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