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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8NO2.Cl
Molecular Weight 173.597
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIGONELLINE HYDROCHLORIDE

SMILES

[Cl-].C[N+]1=CC(=CC=C1)C(O)=O

InChI

InChIKey=TZSYLWAXZMNUJB-UHFFFAOYSA-N
InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H

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 C7H7NO2
Molecular Weight 137.136
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:30:06 UTC 2023
Edited
by admin
on Sat Dec 16 00:30:06 UTC 2023
Record UNII
89A86B74I9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIGONELLINE HYDROCHLORIDE
Common Name English
N-METHYLNICOTINIC ACID BETAINE HYDROCHLORIDE
Common Name English
TRIGONELLINE, CHLORIDE
Common Name English
N-METHYL-3-CARBOXYPYRIDINIUM CHLORIDE
Systematic Name English
NSC-66510
Code English
PYRIDINIUM, 3-CARBOXY-1-METHYL-, CHLORIDE
Systematic Name English
PYRIDINIUM, 3-CARBOXY-1-METHYL-, CHLORIDE (1:1)
Systematic Name English
3-CARBOXY-1-METHYLPYRIDINIUM CHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
89A86B74I9
Created by admin on Sat Dec 16 00:30:06 UTC 2023 , Edited by admin on Sat Dec 16 00:30:06 UTC 2023
PRIMARY
CAS
6138-41-6
Created by admin on Sat Dec 16 00:30:06 UTC 2023 , Edited by admin on Sat Dec 16 00:30:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID30976921
Created by admin on Sat Dec 16 00:30:06 UTC 2023 , Edited by admin on Sat Dec 16 00:30:06 UTC 2023
PRIMARY
NSC
66510
Created by admin on Sat Dec 16 00:30:06 UTC 2023 , Edited by admin on Sat Dec 16 00:30:06 UTC 2023
PRIMARY
ECHA (EC/EINECS)
228-119-5
Created by admin on Sat Dec 16 00:30:06 UTC 2023 , Edited by admin on Sat Dec 16 00:30:06 UTC 2023
PRIMARY
PUBCHEM
134606
Created by admin on Sat Dec 16 00:30:06 UTC 2023 , Edited by admin on Sat Dec 16 00:30:06 UTC 2023
PRIMARY
NIH
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