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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24N6O3
Molecular Weight 384.433
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-7-OL

SMILES

COc1cccc(c1)N=c2c3c(cc(n3[nH]cn2)O)CN4CC[C@]([H])([C@@]([H])(C4)O)N

InChI

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

HIDE SMILES / InChI

Molecular Formula C19H24N6O3
Molecular Weight 384.433
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 Fri Jun 25 20:32:34 UTC 2021
Edited
by admin
on Fri Jun 25 20:32:34 UTC 2021
Record UNII
N9XQ32VYQ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-7-OL
Systematic Name English
PYRROLO(2,1-F)(1,2,4)TRIAZIN-7-OL, 5-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-4-((3-METHOXYPHENYL)AMINO)-
Systematic Name English
BMS-690514 METABOLITE M37
Common Name English
Code System Code Type Description
CAS
1248590-49-9
Created by admin on Fri Jun 25 20:32:34 UTC 2021 , Edited by admin on Fri Jun 25 20:32:34 UTC 2021
PRIMARY
FDA UNII
N9XQ32VYQ7
Created by admin on Fri Jun 25 20:32:34 UTC 2021 , Edited by admin on Fri Jun 25 20:32:34 UTC 2021
PRIMARY
Related Record Type Details
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URINE
PARENT -> METABOLITE
MAJOR
FECAL