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Details

Stereochemistry ACHIRAL
Molecular Formula C5H7N3O.ClH
Molecular Weight 161.59
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYLCYTOSINE HYDROCHLORIDE

SMILES

Cl.CC1=CNC(=O)N=C1N

InChI

InChIKey=ANWMULVRPAUPJT-UHFFFAOYSA-N
InChI=1S/C5H7N3O.ClH/c1-3-2-7-5(9)8-4(3)6;/h2H,1H3,(H3,6,7,8,9);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 C5H7N3O
Molecular Weight 125.1286
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 15:46:02 UTC 2023
Edited
by admin
on Fri Dec 15 15:46:02 UTC 2023
Record UNII
232TOB65NX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYLCYTOSINE HYDROCHLORIDE
Systematic Name English
4-AMINO-2-HYDROXY-5-METHYLPYRIMIDINE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
232TOB65NX
Created by admin on Fri Dec 15 15:46:02 UTC 2023 , Edited by admin on Fri Dec 15 15:46:02 UTC 2023
PRIMARY
PUBCHEM
94029
Created by admin on Fri Dec 15 15:46:02 UTC 2023 , Edited by admin on Fri Dec 15 15:46:02 UTC 2023
PRIMARY
ECHA (EC/EINECS)
261-223-9
Created by admin on Fri Dec 15 15:46:02 UTC 2023 , Edited by admin on Fri Dec 15 15:46:02 UTC 2023
PRIMARY
CAS
58366-64-6
Created by admin on Fri Dec 15 15:46:02 UTC 2023 , Edited by admin on Fri Dec 15 15:46:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID30207085
Created by admin on Fri Dec 15 15:46:02 UTC 2023 , Edited by admin on Fri Dec 15 15:46:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE