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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7ClN6.ClH
Molecular Weight 247.085
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(CHLOROMETHYL)PTERIDINE-2,4-DIAMINE MONOHYDROCHLORIDE

SMILES

Cl.NC1=NC(N)=C2N=C(CCl)C=NC2=N1

InChI

InChIKey=SDZKFWPFFHILFI-UHFFFAOYSA-N
InChI=1S/C7H7ClN6.ClH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H

HIDE SMILES / InChI

Molecular Formula C7H7ClN6
Molecular Weight 210.624
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:31:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:31:54 GMT 2023
Record UNII
M2QL1GYL98
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(CHLOROMETHYL)PTERIDINE-2,4-DIAMINE MONOHYDROCHLORIDE
Systematic Name English
2,4-PTERIDINEDIAMINE, 6-(CHLOROMETHYL)-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
280-027-4
Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023
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EPA CompTox
DTXSID40231992
Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023
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PUBCHEM
157879
Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023
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CAS
82778-08-3
Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023
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FDA UNII
M2QL1GYL98
Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023
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