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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H31ClN4O5.C4H11NO3
Molecular Weight 696.19
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Lotiglipron tromethamine

SMILES

NC(CO)(CO)CO.C[C@@]1(OC2=CC=CC(C3CCN(CC4=NC5=C(C=C(C=C5)C(O)=O)N4C[C@@H]6CCO6)CC3)=C2O1)C7=NC=C(Cl)C=C7

InChI

InChIKey=UEEOYBOWXLQOLU-ZKXIHYOGSA-N
InChI=1S/C31H31ClN4O5.C4H11NO3/c1-31(27-8-6-21(32)16-33-27)40-26-4-2-3-23(29(26)41-31)19-9-12-35(13-10-19)18-28-34-24-7-5-20(30(37)38)15-25(24)36(28)17-22-11-14-39-22;5-4(1-6,2-7)3-8/h2-8,15-16,19,22H,9-14,17-18H2,1H3,(H,37,38);6-8H,1-3,5H2/t22-,31-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C31H31ClN4O5
Molecular Weight 575.055
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H11NO3
Molecular Weight 121.135
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 15:42:23 GMT 2023
Edited
by admin
on Sat Dec 16 15:42:23 GMT 2023
Record UNII
5QR4J2U7T5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Lotiglipron tromethamine
USAN  
Official Name English
2-Amino-2-(hydroxymethyl)propane-1,3-diol 2-((4-((S)-2-(5-chloropyridin-2-yl)-2-methylbenzo[d][1,3]dioxol-4-yl)piperidin-1-yl)methyl)-1-(((S)-oxetan-2-yl)methyl)-1H-benzo[d]imidazole-6-carboxylate
Systematic Name English
PF-07081532-82
Code English
LOTIGLIPRON TROMETHAMINE [USAN]
Common Name English
2-({4-[(2S)-2-(5-Chloropyridin-2-yl)-2-methyl-2H-1,3-benzodioxol-4-yl]piperidin-1-yl}methyl)-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)
Systematic Name English
PF-07081532 TROMETHAMINE
Code English
1H-Benzimidazole-6-carboxylic acid, 2-[[4-[(2S)-2-(5-chloro-2-pyridinyl)-2-methyl-1,3-benzodioxol-4-yl]-1-piperidinyl]methyl]-1-[(2S)-2-oxetanylmethyl]-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
Systematic Name English
Code System Code Type Description
CAS
2401894-16-2
Created by admin on Sat Dec 16 15:42:23 GMT 2023 , Edited by admin on Sat Dec 16 15:42:23 GMT 2023
PRIMARY
USAN
LM-249
Created by admin on Sat Dec 16 15:42:23 GMT 2023 , Edited by admin on Sat Dec 16 15:42:23 GMT 2023
PRIMARY
PUBCHEM
156761565
Created by admin on Sat Dec 16 15:42:23 GMT 2023 , Edited by admin on Sat Dec 16 15:42:23 GMT 2023
PRIMARY
FDA UNII
5QR4J2U7T5
Created by admin on Sat Dec 16 15:42:23 GMT 2023 , Edited by admin on Sat Dec 16 15:42:23 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS