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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H29F2N3O5.Na
Molecular Weight 536.5228
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-3491165 SODIUM

SMILES

[NaH].O[C@H](CCN1C(=NC(C(=O)NCC2=CC(F)=CC=C2)=C1C3CC3)C4=CC=C(F)C=C4)C[C@@H](O)CC(O)=O

InChI

InChIKey=ZHABWSOYOQHIKD-XZHZQXPNSA-N
InChI=1S/C27H29F2N3O5.Na.H/c28-19-8-6-18(7-9-19)26-31-24(27(37)30-15-16-2-1-3-20(29)12-16)25(17-4-5-17)32(26)11-10-21(33)13-22(34)14-23(35)36;;/h1-3,6-9,12,17,21-22,33-34H,4-5,10-11,13-15H2,(H,30,37)(H,35,36);;/t21-,22-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C27H29F2N3O5
Molecular Weight 513.5331
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 0
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 18:57:47 GMT 2023
Edited
by admin
on Sat Dec 16 18:57:47 GMT 2023
Record UNII
NJ8U7PX5HN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-3491165 SODIUM
Common Name English
1H-IMIDAZOLE-1-HEPTANOIC ACID, 5-CYCLOPROPYL-2-(4-FLUOROPHENYL)-4-((((3-FLUOROPHENYL)METHYL)AMINO)CARBONYL)-.BETA.,.DELTA.-DIHYDROXY-, SODIUM SALT (1:1), (.BETA.R,.DELTA.R)-
Systematic Name English
SODIUM (3R,5R)-7-(5-CYCLOPROPYL-2-(4-FLUOROPHENYL)-4-(((3-FLUOROPHENYL)METHYL)CARBAMOYL)-1H-IMIDAZOL-1-YL)-3,5-DIHYDROXYHEPTANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
NJ8U7PX5HN
Created by admin on Sat Dec 16 18:57:47 GMT 2023 , Edited by admin on Sat Dec 16 18:57:47 GMT 2023
PRIMARY
CAS
1309777-89-6
Created by admin on Sat Dec 16 18:57:47 GMT 2023 , Edited by admin on Sat Dec 16 18:57:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY