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Details

Stereochemistry ACHIRAL
Molecular Formula C14H14N8O.BrH
Molecular Weight 391.226
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzamide hydrobromide

SMILES

Br.NC(=O)C1=CC=C(NCC2=NC3=C(N)N=C(N)N=C3N=C2)C=C1

InChI

InChIKey=RFEYOCUMWCHFNW-UHFFFAOYSA-N
InChI=1S/C14H14N8O.BrH/c15-11-10-13(22-14(17)21-11)19-6-9(20-10)5-18-8-3-1-7(2-4-8)12(16)23;/h1-4,6,18H,5H2,(H2,16,23)(H4,15,17,19,21,22);1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H14N8O
Molecular Weight 310.314
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 Tue Apr 01 19:58:57 GMT 2025
Edited
by admin
on Tue Apr 01 19:58:57 GMT 2025
Record UNII
YKD8FZZ8YM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-233903
Preferred Name English
4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzamide hydrobromide
Systematic Name English
Benzamide, 4-[[(2,4-diamino-6-pteridinyl)methyl]amino]-, monohydrobromide
Systematic Name English
Benzamide, 4-[[(2,4-diamino-6-pteridinyl)methyl]amino]-, hydrobromide (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
12503244
Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025
PRIMARY
FDA UNII
YKD8FZZ8YM
Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID50973538
Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025
PRIMARY
NSC
233903
Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025
PRIMARY
CAS
57963-39-0
Created by admin on Tue Apr 01 19:58:57 GMT 2025 , Edited by admin on Tue Apr 01 19:58:57 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE