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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H38N2OS
Molecular Weight 366.604
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KALKITOXIN

SMILES

CC[C@@H](C)C(=O)N(C)CC[C@@H](C)C[C@H](C)[C@H](C)CC1=N[C@@H](CS1)C=C

InChI

InChIKey=PHYRFZDJEDWWKT-UJWQCDCRSA-N
InChI=1S/C21H38N2OS/c1-8-16(4)21(24)23(7)11-10-15(3)12-17(5)18(6)13-20-22-19(9-2)14-25-20/h9,15-19H,2,8,10-14H2,1,3-7H3/t15-,16-,17+,18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H38N2OS
Molecular Weight 366.604
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:33:40 GMT 2025
Edited
by admin
on Mon Mar 31 22:33:40 GMT 2025
Record UNII
79JC6ZX2R6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KALKITOXIN [MI]
Preferred Name English
KALKITOXIN
MI  
Common Name English
KALKITOXIN, (+)-
Common Name English
BUTANAMIDE, N-((3S,5S,6R)-7-((4R)-4-ETHENYL-4,5-DIHYDRO-2-THIAZOLYL)-3,5,6-TRIMETHYLHEPTYL)-N,2-DIMETHYL-, (2R)-
Systematic Name English
(2R)-N-((3S,5S,6R)-7-((4R)-4-ETHENYL-4,5-DIHYDRO-2-THIAZOLYL)-3,5,6-TRIMETHYLHEPTYL)-N,2-DIMETHYLBUTANAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
11176051
Created by admin on Mon Mar 31 22:33:40 GMT 2025 , Edited by admin on Mon Mar 31 22:33:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID80897233
Created by admin on Mon Mar 31 22:33:40 GMT 2025 , Edited by admin on Mon Mar 31 22:33:40 GMT 2025
PRIMARY
MERCK INDEX
m6595
Created by admin on Mon Mar 31 22:33:40 GMT 2025 , Edited by admin on Mon Mar 31 22:33:40 GMT 2025
PRIMARY Merck Index
CAS
247184-89-0
Created by admin on Mon Mar 31 22:33:40 GMT 2025 , Edited by admin on Mon Mar 31 22:33:40 GMT 2025
PRIMARY
WIKIPEDIA
Kalkitoxin
Created by admin on Mon Mar 31 22:33:40 GMT 2025 , Edited by admin on Mon Mar 31 22:33:40 GMT 2025
PRIMARY
FDA UNII
79JC6ZX2R6
Created by admin on Mon Mar 31 22:33:40 GMT 2025 , Edited by admin on Mon Mar 31 22:33:40 GMT 2025
PRIMARY