ENCALERET SULFATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7CKZ1Y8K70

Structure
InChI Key NOJBHZIZNPMQRT-CBASKZFISA-N
Smile Cc1cc(-c2ccccc2[C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc(Cl)c(F)c2)ccc1C(=O)O.Cc1cc(-c2ccccc2[C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc(Cl)c(F)c2)ccc1C(=O)O.O.O=S(=O)(O)O
InChI
InChI=1S/2C29H33ClFNO4.H2O4S.H2O/c2*1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20;1-5(2,3)4;/h2*5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35);(H2,1,2,3,4);1H2/t2*19-,22-;;/m11../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C58H70Cl2F2N2O13S
Molecular Weight 1144.17
AlogP 6.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 78.79
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 36.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis, Postmenopausal 2 D015663 ClinicalTrials
Osteoporosis 2 D010024 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105731
FDA SRS 7CKZ1Y8K70
PubChem 51049993
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