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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25Cl2FN2O2.C7H17NO5
Molecular Weight 670.596
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Taragarestrant meglumine

SMILES

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1CC(C)(C)F)C4=C(Cl)C=C(\C=C\C(O)=O)C=C4Cl

InChI

InChIKey=QLOWUROBGXPIGD-DAIKAQOVSA-N
InChI=1S/C25H25Cl2FN2O2.C7H17NO5/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32;1-8-2-4(10)6(12)7(13)5(11)3-9/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32);4-13H,2-3H2,1H3/b9-8+;/t14-,24-;4-,5+,6+,7+/m10/s1

HIDE SMILES / InChI

Molecular Formula C7H17NO5
Molecular Weight 195.2136
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C25H25Cl2FN2O2
Molecular Weight 475.383
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:12:12 GMT 2023
Edited
by admin
on Sat Dec 16 15:12:12 GMT 2023
Record UNII
P9XH25HH8P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Taragarestrant meglumine
Common Name English
D-Glucitol, 1-deoxy-1-(methylamino)-, (2E)-3-[3,5-dichloro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-2,3,4,9-tetrahydro-3-methyl-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-propenoate (1:1)
Systematic Name English
D-0502 MEGLUMINE
Common Name English
Code System Code Type Description
FDA UNII
P9XH25HH8P
Created by admin on Sat Dec 16 15:12:12 GMT 2023 , Edited by admin on Sat Dec 16 15:12:12 GMT 2023
PRIMARY
CAS
2446618-18-2
Created by admin on Sat Dec 16 15:12:12 GMT 2023 , Edited by admin on Sat Dec 16 15:12:12 GMT 2023
PRIMARY
PUBCHEM
160451230
Created by admin on Sat Dec 16 15:12:12 GMT 2023 , Edited by admin on Sat Dec 16 15:12:12 GMT 2023
PRIMARY
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