CHOLINE PANTOTHENATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H16NO5.C5H14NO
Molecular Weight	322.3978
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+](C)(C)CCO.CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O

InChI

InChIKey=HXCGBBALZREMAS-FJXQXJEOSA-M

InChI=1S/C9H17NO5.C5H14NO/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-6(2,3)4-5-7/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);7H,4-5H2,1-3H3/q;+1/p-1/t7-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C9H17NO5
Molecular Weight	219.235
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C5H13NO
Molecular Weight	103.1628
Charge	0
Count

Stereochemistry	RACEMIC
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 11:31:39 GMT 2023` Edited by `admin` on `Sat Dec 16 11:31:39 GMT 2023`
Record UNII	THH96D721T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHOLINE PANTOTHENATE

Systematic Name

English

.BETA.-ALANINE, N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-, ION(1-), (R)-, 2-HYDROXY-N,N,N-TRIMETHYLETHANAMINIUM

Systematic Name

English

CHOLINE, PANTOTHENATE

Systematic Name

English

ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH (R)-N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-.BETA.-ALANINE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

THH96D721T