CALCIUM HOPANTENATE HEMIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	4C10H18NO5.2Ca.H2O
Molecular Weight	1027.186
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM HOPANTENATE HEMIHYDRATE

Structure Search

SMILES

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

InChI

InChIKey=NNHRASUFFPCRBJ-MIOUZRKOSA-J

InChI=1S/4C10H19NO5.2Ca.H2O/c4*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;;;/h4*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);;;1H2/q;;;;2*+2;/p-4/t4*8-;;;/m0000.../s1

HIDE SMILES / InChI

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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	C10H19NO5
Molecular Weight	233.2616
Charge	0
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 16:54:45 UTC 2023` Edited by `admin` on `Fri Dec 15 16:54:45 UTC 2023`
Record UNII	RQA63PEI5Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM HOPANTENATE HEMIHYDRATE

Common Name

English

PANTOGAM

Common Name

English

CALCIUM D-(+)-4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYLAMIDO)BUTYRATE HEMIHYDRATE

Common Name

English

CALCIUM D-(+)-4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYLAMIDO)BUTYRATE 1/2 HYDRATE

Common Name

English

Hopate

Brand Name

English

CALCIUM HOPANTENATE HYDRATE

Common Name

English

BUTANOIC ACID, 4-((2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)AMINO)-, CALCIUM SALT, HYDRATE (4:2:1), (R)-

Common Name

English

HOPANTENIC ACID CALCIUM SALT HEMIHYDRATE [MI]

Brand Name

English

CALCIUM HOPANTENATE

Common Name

English

CALCIUM HOPANTENATE HYDRATE [JAN]

Common Name

English

HOPANTENATE CALCIUM

Common Name

English

HOPANTENIC ACID, CALCIUM SALT HEMIHYDRATE

Common Name

English

Hopantenate calcium [WHO-DD]

Common Name

English

CALCIUM HOMOPANTOTHENATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47795