LINAGLIPTIN DIMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H56N16O4
Molecular Weight	957.0951
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C)N5CCC[C@H](C5)NCN[C@@H]6CCCN(C6)C7=NC8=C(N7CC#CC)C(=O)N(CC9=NC%10=CC=CC=C%10C(C)=N9)C(=O)N8C

InChI

InChIKey=ALCFTRXZXIHBKC-VSJLXWSYSA-N

InChI=1S/C51H56N16O4/c1-7-9-25-64-42-44(60(5)50(70)66(46(42)68)29-40-54-32(3)36-19-11-13-21-38(36)56-40)58-48(64)62-23-15-17-34(27-62)52-31-53-35-18-16-24-63(28-35)49-59-45-43(65(49)26-10-8-2)47(69)67(51(71)61(45)6)30-41-55-33(4)37-20-12-14-22-39(37)57-41/h11-14,19-22,34-35,52-53H,15-18,23-31H2,1-6H3/t34-,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C51H56N16O4
Molecular Weight	957.0951
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:08:07 GMT 2023` Edited by `admin` on `Sat Dec 16 19:08:07 GMT 2023`
Record UNII	TT8UT4A8Z2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LINAGLIPTIN DIMER

Common Name

English

8,8'-((3R,3'R)-(METHYLENEBIS(AZANEDIYL))BIS(PIPERIDINE-3,1-DIYL))BIS(7-(BUT-2-YN-1-YL)-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)

Systematic Name

English

Code System Code Type Description

PUBCHEM

157010687

Created by admin on Sat Dec 16 19:08:07 GMT 2023 , Edited by admin on Sat Dec 16 19:08:07 GMT 2023

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CAS

2489212-72-6

Created by admin on Sat Dec 16 19:08:07 GMT 2023 , Edited by admin on Sat Dec 16 19:08:07 GMT 2023

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FDA UNII

TT8UT4A8Z2

Created by admin on Sat Dec 16 19:08:07 GMT 2023 , Edited by admin on Sat Dec 16 19:08:07 GMT 2023

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