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Details

Stereochemistry MIXED
Molecular Formula 2C16H28NO5.Ca
Molecular Weight 668.872
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTOCTAMIDE SEMISUCCINATE CALCIUM

SMILES

[Ca++].CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC([O-])=O.CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC([O-])=O

InChI

InChIKey=VRSFOTUXFICGLW-UHFFFAOYSA-L
InChI=1S/2C16H29NO5.Ca/c2*1-4-6-7-13(5-2)11-17-14(18)10-12(3)22-16(21)9-8-15(19)20;/h2*12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C16H28NO5
Molecular Weight 314.3972
Charge -1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 09:30:48 GMT 2023
Edited
by admin
on Sat Dec 16 09:30:48 GMT 2023
Record UNII
ONA8W17G6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTOCTAMIDE SEMISUCCINATE CALCIUM
Common Name English
BUTYRAMIDE, N-(2-ETHYLHEXYL)-3-HYDROXY-, SUCCINATE (MONOESTER), CALCIUM SALT (2:1)
Common Name English
CALCIUM N-(2-ETHYLHEXYL)-3-HYDROXYBUTYRAMIDE SEMISUCCINATE
Common Name English
CALCIUM N-(2-ETHYLHEXYL)-.BETA.-HYDROXYBUTYRAMIDE SEMISUCCINATE
Common Name English
BUTOCTAMIDE HYDROGEN SUCCINATE CALCIUM SALT
MI  
Common Name English
BUTOCTAMIDE HYDROGEN SUCCINATE CALCIUM SALT [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60954075
Created by admin on Sat Dec 16 09:30:48 GMT 2023 , Edited by admin on Sat Dec 16 09:30:48 GMT 2023
PRIMARY
PUBCHEM
56840869
Created by admin on Sat Dec 16 09:30:48 GMT 2023 , Edited by admin on Sat Dec 16 09:30:48 GMT 2023
PRIMARY
CAS
32266-82-3
Created by admin on Sat Dec 16 09:30:48 GMT 2023 , Edited by admin on Sat Dec 16 09:30:48 GMT 2023
PRIMARY
MERCK INDEX
m606
Created by admin on Sat Dec 16 09:30:48 GMT 2023 , Edited by admin on Sat Dec 16 09:30:48 GMT 2023
PRIMARY Merck Index
FDA UNII
ONA8W17G6J
Created by admin on Sat Dec 16 09:30:48 GMT 2023 , Edited by admin on Sat Dec 16 09:30:48 GMT 2023
PRIMARY