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Details

Stereochemistry ACHIRAL
Molecular Formula 2C24H23FN4O3.C3H8O
Molecular Weight 929.0207
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Olaparib hemi-2-propanol

SMILES

CC(C)O.FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N4CCN(CC4)C(=O)C5CC5.FC6=CC=C(CC7=NNC(=O)C8=CC=CC=C78)C=C6C(=O)N9CCN(CC9)C(=O)C%10CC%10

InChI

InChIKey=NFFRRSUHJFJIJL-UHFFFAOYSA-N
InChI=1S/2C24H23FN4O3.C3H8O/c2*25-20-8-5-15(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;1-3(2)4/h2*1-5,8,13,16H,6-7,9-12,14H2,(H,27,30);3-4H,1-2H3

HIDE SMILES / InChI

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

Molecular Formula C3H8O
Molecular Weight 60.095
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 19:27:21 UTC 2023
Edited
by admin
on Sat Dec 16 19:27:21 UTC 2023
Record UNII
Q67E7B7KG6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Olaparib hemi-2-propanol
Common Name English
1(2H)-Phthalazinone, 4-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-, compd. with 2-propanol (2:1)
Systematic Name English
Code System Code Type Description
CAS
2126824-40-4
Created by admin on Sat Dec 16 19:27:22 UTC 2023 , Edited by admin on Sat Dec 16 19:27:22 UTC 2023
PRIMARY
FDA UNII
Q67E7B7KG6
Created by admin on Sat Dec 16 19:27:22 UTC 2023 , Edited by admin on Sat Dec 16 19:27:22 UTC 2023
PRIMARY
PUBCHEM
166177286
Created by admin on Sat Dec 16 19:27:22 UTC 2023 , Edited by admin on Sat Dec 16 19:27:22 UTC 2023
PRIMARY
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