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157110-24-2 | Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo- (9CI)
CAS No: 157110-24-2 Catalog No: AG001P88 MDL No:
Product Description
Catalog Number:
AG001P88
Chemical Name:
Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo- (9CI)
CAS Number:
157110-24-2
Molecular Formula:
C27H22O10
Molecular Weight:
506.4576
IUPAC Name:
1,6,9,14-tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
InChI:
InChI=1S/C27H22O10/c1-9(28)6-10-7-11-8-14(30)18-19(15(11)23(32)16(10)27(35)36)25(34)20-21(26(18)37-2)24(33)17-12(22(20)31)4-3-5-13(17)29/h3-5,7,9,14,28-30,32,34H,6,8H2,1-2H3,(H,35,36)
InChI Key:
XBWMJMIOZSMYBR-UHFFFAOYSA-N
SMILES:
COc1c2C(O)Cc3c(c2c(c2c1C(=O)c1c(C2=O)cccc1O)O)c(O)c(c(c3)CC(O)C)C(=O)O
Properties
Complexity:
923
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.121g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
506.463g/mol
Monoisotopic Mass:
506.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Endothelin-converting enzyme-1-mediated signaling in adult rat ventricular myocyte contractility and apoptosis during sepsis. | Journal of molecular and cellular cardiology 20050301 |
| [Physiological and pathophysiological roles of the endothelin converting enzymes]. | Nihon rinsho. Japanese journal of clinical medicine 20040901 |
| [Prospects for endothelin-related drugs]. | Nihon rinsho. Japanese journal of clinical medicine 20040901 |
| Chronic effects of an endothelin-converting enzyme inhibitor on cardiorenal and hormonal function in heart failure. | Clinical science (London, England : 1979) 20020801 |
| Endothelin-1 promotes vascular structural remodeling during the progression of heart failure prevention of vascular remodeling using a specific endothelin-converting enzyme inhibitor. | Life sciences 20011012 |
| Protective role of an endothelin-converting enzyme inhibitor (FR901533) in hepatic ischemia/reperfusion injury. | Microvascular research 20010701 |
| Improvement of postischemic hepatic microhemodynamics by an endothelin converting enzyme inhibitor (FR 901533). | Transplantation proceedings 20010601 |
| Endothelin converting enzyme protects postischemic liver. | Transplantation proceedings 20010101 |
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