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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26N8O4
Molecular Weight 454.4832
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-N-(2,3-DIHYDRO-8-(3-((2-HYDROXYETHYL)AMINO)PROPOXY)-7-METHOXYIMIDAZO(1,2-C)QUINAZOLIN-5-YL)-5-PYRIMIDINECARBOXAMIDE

SMILES

COc1c(ccc2c1N=C(N=C(c3c[nH]c(=N)nc3)O)N4CCN=C24)OCCCNCCO

InChI

InChIKey=MRKSMBKRMJMBJR-UHFFFAOYSA-N
InChI=1S/C21H26N8O4/c1-32-17-15(33-10-2-5-23-7-9-30)4-3-14-16(17)27-21(29-8-6-24-18(14)29)28-19(31)13-11-25-20(22)26-12-13/h3-4,11-12,23,30H,2,5-10H2,1H3,(H2,22,25,26)(H,27,28,31)

HIDE SMILES / InChI

Molecular Formula C21H26N8O4
Molecular Weight 454.4832
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:55:31 UTC 2021
Edited
by admin
on Sat Jun 26 07:55:31 UTC 2021
Record UNII
QYB71X85N4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-N-(2,3-DIHYDRO-8-(3-((2-HYDROXYETHYL)AMINO)PROPOXY)-7-METHOXYIMIDAZO(1,2-C)QUINAZOLIN-5-YL)-5-PYRIMIDINECARBOXAMIDE
Systematic Name English
COPANLISIB METABOLITE M3
Common Name English
5-PYRIMIDINECARBOXAMIDE, 2-AMINO-N-(2,3-DIHYDRO-8-(3-((2-HYDROXYETHYL)AMINO)PROPOXY)-7-METHOXYIMIDAZO(1,2-C)QUINAZOLIN-5-YL)-
Systematic Name English
Code System Code Type Description
CAS
2132943-81-6
Created by admin on Sat Jun 26 07:55:31 UTC 2021 , Edited by admin on Sat Jun 26 07:55:31 UTC 2021
PRIMARY
FDA UNII
QYB71X85N4
Created by admin on Sat Jun 26 07:55:31 UTC 2021 , Edited by admin on Sat Jun 26 07:55:31 UTC 2021
PRIMARY
PUBCHEM
130420807
Created by admin on Sat Jun 26 07:55:31 UTC 2021 , Edited by admin on Sat Jun 26 07:55:31 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
(DEALKYLATION BY CYP3A4), 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