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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C10H18NO5.Ca
Molecular Weight 504.585
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM HOPANTENATE ANHYDROUS

SMILES

[Ca++].CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O

InChI

InChIKey=OVXZVDMCQPLHIY-QXGOIDDHSA-L
InChI=1S/2C10H19NO5.Ca/c2*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;/h2*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);/q;;+2/p-2/t2*8-;/m00./s1

HIDE SMILES / InChI

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

Molecular Formula C10H18NO5
Molecular Weight 232.2536
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:10:29 UTC 2023
Edited
by admin
on Fri Dec 15 16:10:29 UTC 2023
Record UNII
LK8EOC1M6K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM HOPANTENATE ANHYDROUS
Common Name English
CALCIUM D-(+)-4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYLAMIDO)BUTYRATE
Systematic Name English
BUTANOIC ACID, 4-((2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)AMINO)-, CALCIUM SALT, (2:1), (R)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C47795
Created by admin on Fri Dec 15 16:10:29 UTC 2023 , Edited by admin on Fri Dec 15 16:10:29 UTC 2023
Code System Code Type Description
CAS
17097-76-6
Created by admin on Fri Dec 15 16:10:29 UTC 2023 , Edited by admin on Fri Dec 15 16:10:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID9046653
Created by admin on Fri Dec 15 16:10:29 UTC 2023 , Edited by admin on Fri Dec 15 16:10:29 UTC 2023
PRIMARY
CAS
1990-07-4
Created by admin on Fri Dec 15 16:10:29 UTC 2023 , Edited by admin on Fri Dec 15 16:10:29 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
28280
Created by admin on Fri Dec 15 16:10:29 UTC 2023 , Edited by admin on Fri Dec 15 16:10:29 UTC 2023
PRIMARY
CAS
16498-47-8
Created by admin on Fri Dec 15 16:10:29 UTC 2023 , Edited by admin on Fri Dec 15 16:10:29 UTC 2023
NON-SPECIFIC STOICHIOMETRY
NCI_THESAURUS
C83576
Created by admin on Fri Dec 15 16:10:29 UTC 2023 , Edited by admin on Fri Dec 15 16:10:29 UTC 2023
PRIMARY
FDA UNII
LK8EOC1M6K
Created by admin on Fri Dec 15 16:10:29 UTC 2023 , Edited by admin on Fri Dec 15 16:10:29 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY
ACTIVE MOIETY