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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H15FIN3O3.ClH
Molecular Weight 467.662
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIMASERTIB HYDROCHLORIDE

SMILES

Cl.OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1

InChI

InChIKey=HIEXZUXKTABHCP-PPHPATTJSA-N
InChI=1S/C15H15FIN3O3.ClH/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21;/h1-5,7,10,20-22H,6,8H2,(H,19,23);1H/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H15FIN3O3
Molecular Weight 431.2008
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:07:57 UTC 2023
Edited
by admin
on Sat Dec 16 02:07:57 UTC 2023
Record UNII
6GS1ULF5HV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIMASERTIB HYDROCHLORIDE
USAN  
USAN  
Official Name English
4-PYRIDINECARBOXAMIDE, N-((2S)-2,3-DIHYDROXYPROPYL)-3-((2-FLUORO-4-IODOPHENYL)AMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
MSC1936369B
Code English
PIMASERTIB HYDROCHLORIDE [USAN]
Common Name English
EMD-1036950
Code English
MSC-1936369B
Code English
EMD 1036950
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 297909
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
FDA ORPHAN DRUG 328110
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
EU-Orphan Drug EU/3/10/824
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
Code System Code Type Description
PUBCHEM
52918382
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY
EU-Orphan Drug
EU/3/09/685(POSITIVE)
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY Treatment of pancreatic cancer 8/10/2009 Positive
EU-Orphan Drug
EU/3/10/824 (POSITIVE)
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY Treatment of acute myeloid leukaemia 17/12/2010 Positive
EPA CompTox
DTXSID60154058
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY
USAN
ZZ-117
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY
CAS
1236361-78-6
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY
SMS_ID
100000155425
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY
EVMPD
SUB129490
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY
NCI_THESAURUS
C166935
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY
FDA UNII
6GS1ULF5HV
Created by admin on Sat Dec 16 02:07:57 UTC 2023 , Edited by admin on Sat Dec 16 02:07:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY