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Details

Stereochemistry ACHIRAL
Molecular Formula 2C15H15N7O2.ClH
Molecular Weight 687.112
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-AMINO-4-DEOXY-N10-METHYLPTEROIC ACID, HEMIHYDROCHLORIDE

SMILES

Cl.CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C3=CC=C(C=C3)C(O)=O.CN(CC4=CN=C5N=C(N)N=C(N)C5=N4)C6=CC=C(C=C6)C(O)=O

InChI

InChIKey=WWFYKUISNIJHNQ-UHFFFAOYSA-N
InChI=1S/2C15H15N7O2.ClH/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13;/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21);1H

HIDE SMILES / InChI

Molecular Formula C15H15N7O2
Molecular Weight 325.3253
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
037BJM6602
Record Status Validated (UNII)
Record Version