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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30N8O3
Molecular Weight 514.5789
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((3R)-1-(7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)-3-PIPERIDINYL)ACETAMIDE

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C)N5CCC[C@H](C5)NC(C)=O

InChI

InChIKey=KWOITPIVEAFNPU-LJQANCHMSA-N
InChI=1S/C27H30N8O3/c1-5-6-14-34-23-24(31-26(34)33-13-9-10-19(15-33)29-18(3)36)32(4)27(38)35(25(23)37)16-22-28-17(2)20-11-7-8-12-21(20)30-22/h7-8,11-12,19H,9-10,13-16H2,1-4H3,(H,29,36)/t19-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-((3R)-1-(7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)-3-PIPERIDINYL)ACETAMIDE
Systematic Name English
LINAGLIPTIN METABOLITE M515(1)
Common Name English
ACETAMIDE, N-((3R)-1-(7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)-3-PIPERIDINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
Z82X63Q1Z5
Created by admin on Sat Dec 16 14:24:40 GMT 2023 , Edited by admin on Sat Dec 16 14:24:40 GMT 2023
PRIMARY
CAS
1803079-49-3
Created by admin on Sat Dec 16 14:24:40 GMT 2023 , Edited by admin on Sat Dec 16 14:24:40 GMT 2023
PRIMARY
PUBCHEM
122189866
Created by admin on Sat Dec 16 14:24:40 GMT 2023 , Edited by admin on Sat Dec 16 14:24:40 GMT 2023
PRIMARY