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Details

Stereochemistry EPIMERIC
Molecular Formula C19H24N6O3
Molecular Weight 384.4323
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-5,6-DIHYDRO-5-(3-METHOXYPHENYL)PYRIDO(2,3-E)-1,2,4-TRIAZIN-6-OL

SMILES

COC1=CC(=CC=C1)N2C(O)C=C(CN3CC[C@@H](N)[C@H](O)C3)C4=NN=CN=C24

InChI

InChIKey=QKOZSBSATIOQSY-YNPPLXCJSA-N
InChI=1S/C19H24N6O3/c1-28-14-4-2-3-13(8-14)25-17(27)7-12(18-19(25)21-11-22-23-18)9-24-6-5-15(20)16(26)10-24/h2-4,7-8,11,15-17,26-27H,5-6,9-10,20H2,1H3/t15-,16-,17?/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24N6O3
Molecular Weight 384.4323
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:11:27 UTC 2023
Edited
by admin
on Sat Dec 16 15:11:27 UTC 2023
Record UNII
YA5E5HR6BL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-5,6-DIHYDRO-5-(3-METHOXYPHENYL)PYRIDO(2,3-E)-1,2,4-TRIAZIN-6-OL
Systematic Name English
PYRIDO(2,3-E)-1,2,4-TRIAZIN-6-OL, 8-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-5,6-DIHYDRO-5-(3-METHOXYPHENYL)-
Systematic Name English
BMS-690514 METABOLITE M1
Common Name English
Code System Code Type Description
FDA UNII
YA5E5HR6BL
Created by admin on Sat Dec 16 15:11:28 UTC 2023 , Edited by admin on Sat Dec 16 15:11:28 UTC 2023
PRIMARY
PUBCHEM
156028146
Created by admin on Sat Dec 16 15:11:28 UTC 2023 , Edited by admin on Sat Dec 16 15:11:28 UTC 2023
PRIMARY
CAS
1248590-48-8
Created by admin on Sat Dec 16 15:11:28 UTC 2023 , Edited by admin on Sat Dec 16 15:11:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA
PARENT -> METABOLITE
MINOR
URINE