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

Details

Stereochemistry ACHIRAL
Molecular Formula C28H32N4O3.C6H8O7
Molecular Weight 664.7022
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PACRITINIB CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.C(CN1CCCC1)OC2=CC=C3C=C2COC\C=C\COCC4=CC(=CC=C4)C5=CC=NC(N5)=N3

InChI

InChIKey=BAHHBHSHSRTKNK-BJILWQEISA-N
InChI=1S/C28H32N4O3.C6H8O7/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b4-3+;

HIDE SMILES / InChI

Molecular Formula C28H32N4O3
Molecular Weight 472.5787
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H8O7
Molecular Weight 192.1235
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 15:15:53 UTC 2023
Edited
by admin
on Sat Dec 16 15:15:53 UTC 2023
Record UNII
VJ2PH4NXX7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PACRITINIB CITRATE
Common Name English
Pacritinib citrate [WHO-DD]
Common Name English
SB1518 CITRATE
Code English
14,19-DIOXA-5,7,27-TRIAZATETRACYCLO(19.3.1.12,6.18,12)HEPTACOSA-1(25),2,4,6(27),8,10,12(26),16,21,23-DECAENE, 11-(2-(1-PYRROLIDINYL)ETHOXY)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Common Name English
SB-1518 CITRATE
Code English
VONJO
Brand Name English
Code System Code Type Description
PUBCHEM
46216795
Created by admin on Sat Dec 16 15:15:54 UTC 2023 , Edited by admin on Sat Dec 16 15:15:54 UTC 2023
PRIMARY
RXCUI
2595242
Created by admin on Sat Dec 16 15:15:54 UTC 2023 , Edited by admin on Sat Dec 16 15:15:54 UTC 2023
PRIMARY
SMS_ID
100000166651
Created by admin on Sat Dec 16 15:15:54 UTC 2023 , Edited by admin on Sat Dec 16 15:15:54 UTC 2023
PRIMARY
FDA UNII
VJ2PH4NXX7
Created by admin on Sat Dec 16 15:15:54 UTC 2023 , Edited by admin on Sat Dec 16 15:15:54 UTC 2023
PRIMARY
CAS
1228923-42-9
Created by admin on Sat Dec 16 15:15:54 UTC 2023 , Edited by admin on Sat Dec 16 15:15:54 UTC 2023
PRIMARY
NCI_THESAURUS
C185891
Created by admin on Sat Dec 16 15:15:54 UTC 2023 , Edited by admin on Sat Dec 16 15:15:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY