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Details

Stereochemistry ACHIRAL
Molecular Formula 2C26H24N8O2.C2H6O
Molecular Weight 1007.1108
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TUCATINIB HEMIETHANOLATE

SMILES

CCO.CC1=C(OC2=CC3=NC=NN3C=C2)C=CC(NC4=NC=NC5=C4C=C(NC6=NC(C)(C)CO6)C=C5)=C1.CC7=C(OC8=CC9=NC=NN9C=C8)C=CC(NC%10=NC=NC%11=C%10C=C(NC%12=NC(C)(C)CO%12)C=C%11)=C7

InChI

InChIKey=UGAFQGGOUGJBMF-UHFFFAOYSA-N
InChI=1S/2C26H24N8O2.C2H6O/c2*1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25;1-2-3/h2*4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31);3H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C26H24N8O2
Molecular Weight 480.5212
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H6O
Molecular Weight 46.0684
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 18:07:32 UTC 2023
Edited
by admin
on Sat Dec 16 18:07:32 UTC 2023
Record UNII
CDZ29KT2FT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TUCATINIB HEMIETHANOLATE
Common Name English
ETHANOL, COMPD. WITH N6-(4,5-DIHYDRO-4,4-DIMETHYL-2-OXAZOLYL)-N4-(3-METHYL-4-((1,2,4)TRIAZOLO(1,5-A)PYRIDIN-7-YLOXY)PHENYL)-4,6-QUINAZOLINEDIAMINE (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
CDZ29KT2FT
Created by admin on Sat Dec 16 18:07:32 UTC 2023 , Edited by admin on Sat Dec 16 18:07:32 UTC 2023
PRIMARY
CAS
1429755-56-5
Created by admin on Sat Dec 16 18:07:32 UTC 2023 , Edited by admin on Sat Dec 16 18:07:32 UTC 2023
PRIMARY
SMS_ID
300000024838
Created by admin on Sat Dec 16 18:07:32 UTC 2023 , Edited by admin on Sat Dec 16 18:07:32 UTC 2023
PRIMARY
PUBCHEM
162623678
Created by admin on Sat Dec 16 18:07:32 UTC 2023 , Edited by admin on Sat Dec 16 18:07:32 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY