U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H13N2O3
Molecular Weight 149.1683
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of NITRICHOLINE

SMILES

C[N+](C)(C)CCO[N+]([O-])=O

InChI

InChIKey=BZKRACMUAUSOKR-UHFFFAOYSA-N
InChI=1S/C5H13N2O3/c1-7(2,3)4-5-10-6(8)9/h4-5H2,1-3H3/q+1

HIDE SMILES / InChI

Molecular Formula C5H13N2O3
Molecular Weight 149.1683
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:32:28 GMT 2023
Edited
by admin
on Fri Dec 15 16:32:28 GMT 2023
Record UNII
6E5IDU830P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITRICHOLINE
Common Name English
N,N,N-TRIMETHYL-N-(2-NITRATOETHYL)AMMONIUM
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C270
Created by admin on Fri Dec 15 16:32:28 GMT 2023 , Edited by admin on Fri Dec 15 16:32:28 GMT 2023
Code System Code Type Description
CAS
44929-09-1
Created by admin on Fri Dec 15 16:32:28 GMT 2023 , Edited by admin on Fri Dec 15 16:32:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID20196338
Created by admin on Fri Dec 15 16:32:28 GMT 2023 , Edited by admin on Fri Dec 15 16:32:28 GMT 2023
PRIMARY
FDA UNII
6E5IDU830P
Created by admin on Fri Dec 15 16:32:28 GMT 2023 , Edited by admin on Fri Dec 15 16:32:28 GMT 2023
PRIMARY
NCI_THESAURUS
C95326
Created by admin on Fri Dec 15 16:32:28 GMT 2023 , Edited by admin on Fri Dec 15 16:32:28 GMT 2023
PRIMARY
PUBCHEM
68339
Created by admin on Fri Dec 15 16:32:28 GMT 2023 , Edited by admin on Fri Dec 15 16:32:28 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY