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

Details

Stereochemistry RACEMIC
Molecular Formula C15H16N2O.2H3O4P
Molecular Weight 436.2907
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENATINE DIPHOSPHATE

SMILES

OP(O)(O)=O.OP(O)(O)=O.CC(CC1=CC=CC=C1)NC(=O)C2=CN=CC=C2

InChI

InChIKey=ZDZWSXDFNBHJFZ-UHFFFAOYSA-N
InChI=1S/C15H16N2O.2H3O4P/c1-12(10-13-6-3-2-4-7-13)17-15(18)14-8-5-9-16-11-14;2*1-5(2,3)4/h2-9,11-12H,10H2,1H3,(H,17,18);2*(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C15H16N2O
Molecular Weight 240.3003
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H3O4P
Molecular Weight 97.9952
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 08:48:34 GMT 2023
Edited
by admin
on Sat Dec 16 08:48:34 GMT 2023
Record UNII
7CHW6JI29E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENATINE DIPHOSPHATE
Common Name English
PHENATINE PHOSPHATE [MI]
Common Name English
PHENATINE PHOSPHATE
MI  
Common Name English
3-PYRIDINECARBOXAMIDE, N-(1-METHYL-2-PHENYLETHYL)-, PHOSPHATE (1:2)
Systematic Name English
Code System Code Type Description
MERCK INDEX
m8600
Created by admin on Sat Dec 16 08:48:34 GMT 2023 , Edited by admin on Sat Dec 16 08:48:34 GMT 2023
PRIMARY Merck Index
CAS
2964-23-0
Created by admin on Sat Dec 16 08:48:34 GMT 2023 , Edited by admin on Sat Dec 16 08:48:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID30952109
Created by admin on Sat Dec 16 08:48:34 GMT 2023 , Edited by admin on Sat Dec 16 08:48:34 GMT 2023
PRIMARY
FDA UNII
7CHW6JI29E
Created by admin on Sat Dec 16 08:48:34 GMT 2023 , Edited by admin on Sat Dec 16 08:48:34 GMT 2023
PRIMARY
PUBCHEM
200947
Created by admin on Sat Dec 16 08:48:34 GMT 2023 , Edited by admin on Sat Dec 16 08:48:34 GMT 2023
PRIMARY