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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14NO2.Cl
Molecular Weight 179.645
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CROTONOBETAINE HYDROCHLORIDE

SMILES

[Cl-].C[N+](C)(C)C\C=C\C(O)=O

InChI

InChIKey=PUKNFWRLBQXPFL-FXRZFVDSSA-N
InChI=1S/C7H13NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-5H,6H2,1-3H3;1H/b5-4+;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H13NO2
Molecular Weight 143.1836
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:41 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:41 GMT 2023
Record UNII
X7E9C9R1UY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CROTONOBETAINE HYDROCHLORIDE
Common Name English
2-PROPEN-1-AMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-, CHLORIDE
Common Name English
(2E)-3-CARBOXY-N,N,N-TRIMETHYL-2-PROPEN-1-AMINIUM CHLORIDE (1:1)
Systematic Name English
(3-CARBOXYALLYL)TRIMETHYLAMMONIUM CHLORIDE
Common Name English
2-PROPEN-1-AMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-, CHLORIDE (1:1), (2E)-
Systematic Name English
LEVOCARNITINE RELATED COMPOUND A [USP-RS]
Common Name English
2-PROPEN-1-AMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-, CHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1359925
Created by admin on Sat Dec 16 11:19:41 GMT 2023 , Edited by admin on Sat Dec 16 11:19:41 GMT 2023
PRIMARY
CAS
6538-82-5
Created by admin on Sat Dec 16 11:19:41 GMT 2023 , Edited by admin on Sat Dec 16 11:19:41 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
144205-67-4
Created by admin on Sat Dec 16 11:19:41 GMT 2023 , Edited by admin on Sat Dec 16 11:19:41 GMT 2023
PRIMARY
PUBCHEM
6444550
Created by admin on Sat Dec 16 11:19:41 GMT 2023 , Edited by admin on Sat Dec 16 11:19:41 GMT 2023
PRIMARY
FDA UNII
X7E9C9R1UY
Created by admin on Sat Dec 16 11:19:41 GMT 2023 , Edited by admin on Sat Dec 16 11:19:41 GMT 2023
PRIMARY
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