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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22FN3O3.C4H6O6
Molecular Weight 545.5136
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KETANSERIN TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.FC1=CC=C(C=C1)C(=O)C2CCN(CCN3C(=O)NC4=C(C=CC=C4)C3=O)CC2

InChI

InChIKey=KMTLTEVOQLMYRS-LREBCSMRSA-N
InChI=1S/C22H22FN3O3.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

HIDE SMILES / InChI

Molecular Formula C22H22FN3O3
Molecular Weight 395.4268
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:03:02 UTC 2023
Edited
by admin
on Fri Dec 15 18:03:02 UTC 2023
Record UNII
645498QK7H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KETANSERIN TARTRATE
MART.   MI   WHO-DD  
Common Name English
PERKETAN
Brand Name English
KET
Brand Name English
R 49945
Code English
3-(2-(4-(4-FLUOROBENZOYL)PIPERIDINO)ETHYL)QUINAZOLINE-2,4(1H,3H)-DIONE TARTRATE
Systematic Name English
KETANSERIN TARTRATE [MART.]
Common Name English
KJK 945
Code English
KETANSERIN TARTRATE [JAN]
Common Name English
Ketanserin tartrate [WHO-DD]
Common Name English
3-(2-(4-(4-FLUOROBENZOYL)PIPERIDINO)ETHYL)QUINAZOLINE-2,4(1H,3H)-DIONE L-TARTRATE
Systematic Name English
NSC-758959
Code English
KETANSERIN TARTRATE [MI]
Common Name English
R-49945
Code English
SEREPRESS
Brand Name English
SUFREXAL
Brand Name English
2,4(1H,3H)-QUINAZOLINEDIONE, 3-(2-(4-(4-FLUOROBENZOYL)-1-PIPERIDINYL)ETHYL)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C66885
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
281-062-8
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY
SMS_ID
100000086461
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY
NSC
758959
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY
MERCK INDEX
m6614
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY Merck Index
CAS
83846-83-7
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY
FDA UNII
645498QK7H
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY
EVMPD
SUB02831MIG
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY
PUBCHEM
16219944
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID701003945
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY
NCI_THESAURUS
C2036
Created by admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
PRIMARY
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ACTIVE MOIETY