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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19N7O5
Molecular Weight 425.3981
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((5-(2-AMINOPYRIMIDINE-5-CARBOXAMIDO)-7-METHOXY-2,3-DIHYDROIMIDAZO(1,2-C)QUINAZOLIN-8-YL)OXY)PROPANOIC ACID

SMILES

COC1=C2N=C(NC(=O)C3=CN=C(N)N=C3)N4CCN=C4C2=CC=C1OCCC(O)=O

InChI

InChIKey=KLKBHUCDAFIIPT-UHFFFAOYSA-N
InChI=1S/C19H19N7O5/c1-30-15-12(31-7-4-13(27)28)3-2-11-14(15)24-19(26-6-5-21-16(11)26)25-17(29)10-8-22-18(20)23-9-10/h2-3,8-9H,4-7H2,1H3,(H,27,28)(H2,20,22,23)(H,24,25,29)

HIDE SMILES / InChI

Molecular Formula C19H19N7O5
Molecular Weight 425.3981
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:08:28 UTC 2023
Edited
by admin
on Sat Dec 16 14:08:28 UTC 2023
Record UNII
7D3BZM3BQN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((5-(2-AMINOPYRIMIDINE-5-CARBOXAMIDO)-7-METHOXY-2,3-DIHYDROIMIDAZO(1,2-C)QUINAZOLIN-8-YL)OXY)PROPANOIC ACID
Systematic Name English
COPANLISIB METABOLITE M2
Common Name English
Code System Code Type Description
FDA UNII
7D3BZM3BQN
Created by admin on Sat Dec 16 14:08:28 UTC 2023 , Edited by admin on Sat Dec 16 14:08:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
The six healthy male volunteers received a single i.v. infusion of 12 mg copanlisib (2.76 MBq (14C)copanlisib) in a total volume of 40 mL as a 1-h infusion in the morning, 1-h after a light breakfast. 5 Caucasians and 1 Asian with an age 54.8 +/- 5.2 yeas (mean +/- SD, range: 47-61 years) and a BMI of 24.8 kg/m^2. Non-smokers and reported at the most light alcohol use.
AMOUNT EXCRETED
FECAL