1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/2C48H48F2N10O5.Ca.2H2O/c2*1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44;;;/h2*8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62);;2*1H2/t2*27-,28-,30-,48-;;;/m00.../s1

2.1.2 InChI Key

MMLHMZZVJJPQJC-SUHORIMJSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Orforglipron Hemicalcium Hydrate

2. 3008544-96-2

3. 3-((1s,2s)-1-(5-((s)-2,2-dimethyltetrahydro-2h-pyran-4-yl)-2-((s)-3-(3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine-5-carbonyl)-1h-indol-1-yl)-2-methylcyclopropyl)-1,2,4-oxadiazol-5(4h)-one Calcium Salt Hydrate (2:1:2)

2.3 Create Date

2025-11-18

3 Chemical and Physical Properties

Molecular Formula	C₉₆H₁₀₀CaF₄N₂₀O₁₂
Molecular Weight	1842.0 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	14
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	291
Heavy Atom Count	133
Formal Charge	0
Complexity	1950
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5

CID 177669117

CID 177669117

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