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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11NO2
Molecular Weight 165.1891
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(CARBOXYMETHYL)-3,4-DIMETHYLPYRIDINIUM BETAINE

SMILES

CC1=CC=[N+](CC([O-])=O)C=C1C

InChI

InChIKey=ZVWLUOPJIACCFX-UHFFFAOYSA-N
InChI=1S/C9H11NO2/c1-7-3-4-10(5-8(7)2)6-9(11)12/h3-5H,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H11NO2
Molecular Weight 165.1891
Charge 0
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 10:30:33 GMT 2023
Edited
by admin
on Sat Dec 16 10:30:33 GMT 2023
Record UNII
RUJ377X62Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(CARBOXYMETHYL)-3,4-DIMETHYLPYRIDINIUM BETAINE
Common Name English
1-(CARBOXYLATOMETHYL)DIMETHYLPYRIDINIUM
Systematic Name English
PYRIDINIUM, 1-(CARBOXYMETHYL)DIMETHYL-, HYDROXIDE, INNER SALT
Common Name English
PYRIDINIUM, 1-(CARBOXYMETHYL)DIMETHYL-, INNER SALT
Systematic Name English
Code System Code Type Description
CAS
85168-84-9
Created by admin on Sat Dec 16 10:30:33 GMT 2023 , Edited by admin on Sat Dec 16 10:30:33 GMT 2023
NON-SPECIFIC SUBSTITUTION
ECHA (EC/EINECS)
285-926-5
Created by admin on Sat Dec 16 10:30:33 GMT 2023 , Edited by admin on Sat Dec 16 10:30:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID501005614
Created by admin on Sat Dec 16 10:30:33 GMT 2023 , Edited by admin on Sat Dec 16 10:30:33 GMT 2023
PRIMARY
FDA UNII
RUJ377X62Q
Created by admin on Sat Dec 16 10:30:33 GMT 2023 , Edited by admin on Sat Dec 16 10:30:33 GMT 2023
PRIMARY
CAS
73358-97-1
Created by admin on Sat Dec 16 10:30:33 GMT 2023 , Edited by admin on Sat Dec 16 10:30:33 GMT 2023
PRIMARY
PUBCHEM
119026220
Created by admin on Sat Dec 16 10:30:33 GMT 2023 , Edited by admin on Sat Dec 16 10:30:33 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT