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Details

Stereochemistry MIXED
Molecular Formula C18H25N3O3
Molecular Weight 331.4101
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S,3S,5S)-2-((2S)-2-AMINO-2-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE

SMILES

C1[C@]2([H])C[C@]2([H])N([C@]1([H])C#N)C(=O)[C@]([H])(C34CC5([H])CC(C3)(CC(C5)(C4)O)O)N

InChI

InChIKey=GAWUJFVQGSLSSZ-SZRCHTAPSA-N
InChI=1S/C18H25N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-5,7-9,20H2/t10?,11-,12+,13+,14-,16?,17?,18?/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H25N3O3
Molecular Weight 331.4101
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 4 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:59:26 UTC 2021
Edited
by admin
on Sat Jun 26 12:59:26 UTC 2021
Record UNII
PB91NV4HAN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,3S,5S)-2-((2S)-2-AMINO-2-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE
Systematic Name English
BMS 510849
Common Name English
5-HYDROXY SAXAGLIPTIN
Common Name English
M2 SAXAGLIPTIN HYDROXYLATED METABOLITE
Common Name English
SAXAGLIPTIN METABOLITE M2
Common Name English
2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE, 2-((2S)-2-AMINO-2-(3,5-DIHYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-, (1S,3S,5S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
23645678
Created by admin on Sat Jun 26 12:59:26 UTC 2021 , Edited by admin on Sat Jun 26 12:59:26 UTC 2021
PRIMARY
DRUG BANK
DBMET00459
Created by admin on Sat Jun 26 12:59:26 UTC 2021 , Edited by admin on Sat Jun 26 12:59:26 UTC 2021
PRIMARY
FDA UNII
PB91NV4HAN
Created by admin on Sat Jun 26 12:59:26 UTC 2021 , Edited by admin on Sat Jun 26 12:59:26 UTC 2021
PRIMARY
CAS
841302-24-7
Created by admin on Sat Jun 26 12:59:26 UTC 2021 , Edited by admin on Sat Jun 26 12:59:26 UTC 2021
PRIMARY
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MAJOR
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FECAL
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC SINGLE ORAL DOSE ADMINISTRATION