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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H36N8O4
Molecular Weight 572.6592
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINAGLIPTIN N-BOC IMPURITY

SMILES

CC#CCn1c2c(nc1N3CCC[C@]([H])(C3)N=C(O)OC(C)(C)C)n(C)c(=O)n(Cc4nc(C)c5ccccc5n4)c2=O

InChI

InChIKey=PQEIZFATTRGTNW-HXUWFJFHSA-N
InChI=1S/C30H36N8O4/c1-7-8-16-37-24-25(34-27(37)36-15-11-12-20(17-36)32-28(40)42-30(3,4)5)35(6)29(41)38(26(24)39)18-23-31-19(2)21-13-9-10-14-22(21)33-23/h9-10,13-14,20H,11-12,15-18H2,1-6H3,(H,32,40)/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H36N8O4
Molecular Weight 572.6592
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:34:04 UTC 2021
Edited
by admin
on Fri Jun 25 20:34:04 UTC 2021
Record UNII
N3W7W93LXJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINAGLIPTIN N-BOC IMPURITY
Common Name English
CARBAMIC ACID, 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)-, 1,1-DIMETHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
N3W7W93LXJ
Created by admin on Fri Jun 25 20:34:04 UTC 2021 , Edited by admin on Fri Jun 25 20:34:04 UTC 2021
PRIMARY
CAS
668273-75-4
Created by admin on Fri Jun 25 20:34:04 UTC 2021 , Edited by admin on Fri Jun 25 20:34:04 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY