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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20N4O.C7H8O3S.H2O
Molecular Weight 510.605
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Niraparib tosylate monohydrate

SMILES

O.CC1=CC=C(C=C1)S(O)(=O)=O.NC(=O)C2=CC=CC3=CN(N=C23)C4=CC=C(C=C4)[C@@H]5CCCNC5

InChI

InChIKey=ACNPUCQQZDAPJH-FMOMHUKBSA-N
InChI=1S/C19H20N4O.C7H8O3S.H2O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;1-6-2-4-7(5-3-6)11(8,9)10;/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2-5H,1H3,(H,8,9,10);1H2/t14-;;/m1../s1

HIDE SMILES / InChI
Molecular Formula C7H8O3S
Molecular Weight 172.202
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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 C19H20N4O
Molecular Weight 320.3883
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:12:11 UTC 2023
Edited
by admin
on Sat Dec 16 09:12:11 UTC 2023
Record UNII
195Q483UZD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Niraparib tosylate monohydrate
Common Name English
ZEJULA
Brand Name English
AKEEGA COMPONENT NIRAPARIB TOSYLATE MONOHYDRATE
Brand Name English
2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl]-, 4-methylbenzenesulfonate, hydrate (1:1:1)
Systematic Name English
MK-4827 TOSYLATE MONOHYDRATE
Code English
NIRAPARIB TOSILATE HYDRATE
Common Name English
NIRAPARIB TOSYLATE MONOHYDRATE COMPONENT OF AKEEGA
Brand Name English
NIRAPARIB TOSYLATE MONOHYDRATE [MI]
Common Name English
NIRAPARIB TOSILATE HYDRATE [JAN]
Common Name English
Niraparib tosylate monohydrate [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C62554
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
Code System Code Type Description
EU-Orphan Drug
EU/3/10/760(POSITIVE)
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY On 4 August 2010, orphan designation (EU/3/10/760) was granted by the European Commission to Merck Sharp & Dohme Limited, United Kingdom, for (3S)-3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl] phenyl} piperidine tosylate monohydrate salt (also known as MK-4827) for the treatment of ovarian cancer. The sponsorship was transferred to Tesaro U.K. Limited, United Kingdom, in December 2012.
FDA UNII
195Q483UZD
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY
CAS
1613220-15-7
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY
EVMPD
SUB183938
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY
SMS_ID
100000170106
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY
PUBCHEM
74763937
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY
MERCK INDEX
m11995
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY
DRUG BANK
DBSALT002590
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY
NCI_THESAURUS
C133238
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY
CHEBI
176844
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY
EU-Orphan Drug
EU/3/10/787(POSITIVE)
Created by admin on Sat Dec 16 09:12:11 UTC 2023 , Edited by admin on Sat Dec 16 09:12:11 UTC 2023
PRIMARY On 1 October 2010, orphan designation (EU/3/10/787) was granted by the European Commission to Merck Sharp & Dohme Limited, United Kingdom, for (3S)-3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl] phenyl} piperidine tosylate monohydrate salt for the treatment of mantle-cell lymphoma. The sponsorship was transferred to Tesaro U.K. Limited, United Kingdom, in December 2012.
Related Record Type Details
Structure of NIRAPARIB
PARENT -> SALT/SOLVATE
Structure of NIRAPARIB TOSYLATE ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of NIRAPARIB
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