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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23FN4O3.H2O
Molecular Weight 452.4781
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Olaparib monohydrate

SMILES

O.FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N4CCN(CC4)C(=O)C5CC5

InChI

InChIKey=IZBKJWSFXCKAPD-UHFFFAOYSA-N
InChI=1S/C24H23FN4O3.H2O/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16;/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30);1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H23FN4O3
Molecular Weight 434.4628
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 Dec 16 20:11:44 UTC 2023
Edited
by admin
on Sat Dec 16 20:11:44 UTC 2023
Record UNII
34FMX7983W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Olaparib monohydrate
Common Name English
1(2H)-Phthalazinone, 4-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-, hydrate (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
168798820
Created by admin on Sat Dec 16 20:11:44 UTC 2023 , Edited by admin on Sat Dec 16 20:11:44 UTC 2023
PRIMARY
CAS
2093369-28-7
Created by admin on Sat Dec 16 20:11:44 UTC 2023 , Edited by admin on Sat Dec 16 20:11:44 UTC 2023
PRIMARY
FDA UNII
34FMX7983W
Created by admin on Sat Dec 16 20:11:44 UTC 2023 , Edited by admin on Sat Dec 16 20:11:44 UTC 2023
PRIMARY
Related Record Type Details
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ANHYDROUS->SOLVATE