U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H32ClF4N7O2
Molecular Weight 622.057
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of Divarasib

SMILES

C[C@H]1CN(CCN1C2=C3C=C(Cl)C(=C(F)C3=NC(OC[C@@H]4CCCN4C)=N2)C5=NC(N)=CC(C)=C5C(F)(F)F)C(=O)C=C

InChI

InChIKey=ZRBPIAWWRPFDPY-IRXDYDNUSA-N
InChI=1S/C29H32ClF4N7O2/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36)/t16-,17-/m0/s1

HIDE SMILES / InChI
Molecular Formula C29H32ClF4N7O2
Molecular Weight 622.057
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149,124

Cmax

ValueDoseCo-administeredAnalytePopulation
657 ng/mL
400 mg 1 times / day multiple, oral
 DIVARASIB plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
9130 ng × h/mL
400 mg 1 times / day multiple, oral
 DIVARASIB plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
17.6 h
400 mg 1 times / day multiple, oral
 DIVARASIB plasma
Homo sapiens
310 min
unknown
 DIVARASIB blood
Homo sapiens

Funbound

ValueDoseCo-administeredAnalytePopulation
0.2%
unknown
 DIVARASIB blood
Homo sapiens
Substance Class Chemical
Record UNII
E6S21PVT91
Record Status Validated (UNII)
Record Version
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966