Orforglipron Calcium

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C48H47F2N10O5.Ca
Molecular Weight	1803.973
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[H][C@@]1(CCOC(C)(C)C1)C2=CC3=C(C=C2)N(C(=C3)C(=O)N4CCC5=NN(C(N6C=CN(C6=O)C7=C(F)C8=C(C=C7)N(C)N=C8)=C5[C@@H]4C)C9=CC(C)=C(F)C(C)=C9)[C@]%10(C[C@@H]%10C)C%11=NOC(=O)[N-]%11.[H][C@@]%12(CCOC(C)(C)C%12)C%13=CC%14=C(C=C%13)N(C(=C%14)C(=O)N%15CCC%16=NN(C(N%17C=CN(C%17=O)C%18=C(F)C%19=C(C=C%18)N(C)N=C%19)=C%16[C@@H]%15C)C%20=CC(C)=C(F)C(C)=C%20)[C@]%21(C[C@@H]%21C)C%22=NOC(=O)[N-]%22

InChI

InChIKey=QBDWQKSMTIYJPN-IDSDWNPTSA-L

InChI=1S/2C48H48F2N10O5.Ca/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);/q;;+2/p-2/t2*27-,28-,30-,48-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C48H47F2N10O5
Molecular Weight	881.9476
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:36:44 GMT 2023` Edited by `admin` on `Sat Dec 16 14:36:44 GMT 2023`
Record UNII	VI5M9OZV2X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Orforglipron Calcium

Official Name

English

LY-3502970 HEMICALCIUM

Code

English

Orforglipron hemicalcium

Common Name

English

LY3502970 HEMICALCIUM

Code

English

ORFORGLIPRON CALCIUM [USAN]

Common Name

English

1,2,4-Oxadiazol-5(2H)-one, 3-[(1S,2S)-1-[2-[[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-[(4S)-tetrahydro-2,2-dim

Systematic Name

English

Calcium bis{3-[(1S,2S)-1-({2-(4-fluoro-3,5-dimethylphenyl)-3-({3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}carbonyl)-5-[(4S)-2,2-dimethyloxan-4-yl]-1H-indol-1-yl}

Systematic Name

English

Code System Code Type Description

CAS

2415797-61-2