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Details

Stereochemistry MIXED
Molecular Formula C18H23N3O7S
Molecular Weight 425.456
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FMISO PRECURSOR

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN2C=CN=C2[N+]([O-])=O)OC3CCCCO3

InChI

InChIKey=ADKHTOXGXAAZSE-UHFFFAOYSA-N
InChI=1S/C18H23N3O7S/c1-14-5-7-16(8-6-14)29(24,25)27-13-15(28-17-4-2-3-11-26-17)12-20-10-9-19-18(20)21(22)23/h5-10,15,17H,2-4,11-13H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H23N3O7S
Molecular Weight 425.456
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:07:17 UTC 2023
Edited
by admin
on Sat Dec 16 14:07:17 UTC 2023
Record UNII
A99BB7VWS4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FMISO PRECURSOR
Common Name English
NITTP
Common Name English
3-(2-NITRO-1H-IMIDAZOL-1-YL)-2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PROPYL 4-METHYLBENZENESULFONATE
Systematic Name English
Code System Code Type Description
CAS
150196-34-2
Created by admin on Sat Dec 16 14:07:17 UTC 2023 , Edited by admin on Sat Dec 16 14:07:17 UTC 2023
PRIMARY
PUBCHEM
11568059
Created by admin on Sat Dec 16 14:07:17 UTC 2023 , Edited by admin on Sat Dec 16 14:07:17 UTC 2023
PRIMARY
FDA UNII
A99BB7VWS4
Created by admin on Sat Dec 16 14:07:17 UTC 2023 , Edited by admin on Sat Dec 16 14:07:17 UTC 2023
PRIMARY
Related Record Type Details
INGREDIENT -> STARTING MATERIAL