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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20N4O3.H2O
Molecular Weight 394.4238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PICOTAMIDE MONOHYDRATE

SMILES

O.COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CC=CN=C3

InChI

InChIKey=ICYQAMNVLLHURR-UHFFFAOYSA-N
InChI=1S/C21H20N4O3.H2O/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16;/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27);1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H20N4O3
Molecular Weight 376.4085
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 Fri Dec 15 18:32:09 UTC 2023
Edited
by admin
on Fri Dec 15 18:32:09 UTC 2023
Record UNII
643HY5UHKS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PICOTAMIDE MONOHYDRATE
EP   MI  
Common Name English
PICOTAMIDE MONOHYDRATE [EP IMPURITY]
Common Name English
PICOTAMIDE MONOHYDRATE [EP MONOGRAPH]
Common Name English
PICOTAMIDE MONOHYDRATE [MI]
Common Name English
1,3-BENZENEDICARBOXAMIDE, 4-METHOXY-N,N'-BIS(3-PYRIDINYLMETHYL)-, MONOHYDRATE
Systematic Name English
PLACTIDIL
Brand Name English
1,3-BENZENEDICARBOXAMIDE, 4-METHOXY-N1,N3-BIS(3-PYRIDINYLMETHYL)-, HYDRATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
80530-63-8
Created by admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
PRIMARY
SMS_ID
100000079607
Created by admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
PRIMARY
EVMPD
SUB12216MIG
Created by admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID30230378
Created by admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
PRIMARY
PUBCHEM
6419975
Created by admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
PRIMARY
FDA UNII
643HY5UHKS
Created by admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
PRIMARY
MERCK INDEX
m8789
Created by admin on Fri Dec 15 18:32:09 UTC 2023 , Edited by admin on Fri Dec 15 18:32:09 UTC 2023
PRIMARY Merck Index
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