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Details

Stereochemistry EPIMERIC
Molecular Formula C13H18N2O6
Molecular Weight 298.2918
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-NITROSO-N-P-METHYLPHENYL-1-DEOXY-D-FRUCTOSYLAMINE

SMILES

CC1=CC=C(C=C1)N(CC2(O)OC[C@@H](O)[C@@H](O)[C@@H]2O)N=O

InChI

InChIKey=PTAFVMYPDHJIFU-FKJOKYEKSA-N
InChI=1S/C13H18N2O6/c1-8-2-4-9(5-3-8)15(14-20)7-13(19)12(18)11(17)10(16)6-21-13/h2-5,10-12,16-19H,6-7H2,1H3/t10-,11-,12+,13?/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H18N2O6
Molecular Weight 298.2918
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:35:05 GMT 2023
Edited
by admin
on Sat Dec 16 08:35:05 GMT 2023
Record UNII
SM635M58H8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-NITROSO-N-P-METHYLPHENYL-1-DEOXY-D-FRUCTOSYLAMINE
Systematic Name English
D-FRUCTOPYRANOSE, 1-DEOXY-1-((4-METHYLPHENYL)NITROSOAMINO)-
Systematic Name English
N-((2,3,4,5-TETRAHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL)-N-(P-TOLYL)NITROUS AMIDE
Systematic Name English
1-DEOXY-1-((4-METHYLPHENYL)NITROSOAMINO)FRUCTOPYRANOSE, D-
Systematic Name English
1-DEOXY-1-((4-METHYLPHENYL)NITROSOAMINO) FRUCTOPYRANOSE, D-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30920585
Created by admin on Sat Dec 16 08:35:05 GMT 2023 , Edited by admin on Sat Dec 16 08:35:05 GMT 2023
PRIMARY
PUBCHEM
198701
Created by admin on Sat Dec 16 08:35:05 GMT 2023 , Edited by admin on Sat Dec 16 08:35:05 GMT 2023
PRIMARY
FDA UNII
SM635M58H8
Created by admin on Sat Dec 16 08:35:05 GMT 2023 , Edited by admin on Sat Dec 16 08:35:05 GMT 2023
PRIMARY
CAS
111858-68-5
Created by admin on Sat Dec 16 08:35:05 GMT 2023 , Edited by admin on Sat Dec 16 08:35:05 GMT 2023
PRIMARY