ORVEPITANT MALEATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HAX0H28B6W

Structure
InChI Key IPACOHTZCSBGBV-WUXDIRCFSA-N
Smile Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C31H35F7N4O2.C4H4O4/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38;5-3(6)1-2-4(7)8/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24+,25+,27-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H39F7N4O6
Molecular Weight 744.71
AlogP 6.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 47.1
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 44.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cough 2 D003371 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105668
FDA SRS HAX0H28B6W
PubChem 44225656
SureChEMBL SCHEMBL2179750
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