U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H32N6
Molecular Weight 392.5404
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOREFORANT

SMILES

CN1CCC(CCCNC2=NC=C(C3=NC4=C(C)C=C(C)C=C4N3)C(C)=N2)CC1

InChI

InChIKey=FCRFVPZAXGJLPW-UHFFFAOYSA-N
InChI=1S/C23H32N6/c1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18/h12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26)

HIDE SMILES / InChI
Molecular Formula C23H32N6
Molecular Weight 392.5404
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:11:25 UTC 2023
Edited
by admin
on Sat Dec 16 09:11:25 UTC 2023
Record UNII
U6LA7G393X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOREFORANT
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
TOREFORANT [USAN]
Common Name English
JNJ-38518168
Code English
Toreforant [WHO-DD]
Common Name English
toreforant [INN]
Common Name English
2-PYRIMIDINAMINE, 5-(5,7-DIMETHYL-1H-BENZIMIDAZOL-2-YL)-4-METHYL-N-(3-(1-METHYL-4-PIPERIDINYL)PROPYL)-
Systematic Name English
5-(4,6-DIMETHYL-1H-BENZIMIDAZOL-2-YL)-4-METHYL-N-(3-(1-METHYL-4-PIPERIDINYL)PROPYL)-2-PYRIMIDINAMINE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29708
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C152698
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
INN
10046
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL3301609
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
WIKIPEDIA
Toreforant
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
SMS_ID
300000034367
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
CAS
952494-46-1
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
FDA UNII
U6LA7G393X
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
PUBCHEM
23650961
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID701336756
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
USAN
BC-68
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
DRUG BANK
DB12522
Created by admin on Sat Dec 16 09:11:25 UTC 2023 , Edited by admin on Sat Dec 16 09:11:25 UTC 2023
PRIMARY
Related Record Type Details
HISTAMINE H4 RECEPTOR
TARGET -> INHIBITOR
Structure of TOREFORANT TARTRATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of TOREFORANT
ACTIVE MOIETY
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