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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H13N3O6
Molecular Weight 247.2053
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PR-69

SMILES

OC[C@@H](O)[C@H](CO)OCN1C=CN=C1[N+]([O-])=O

InChI

InChIKey=FIITXXIVUIXYMI-RQJHMYQMSA-N
InChI=1S/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7+/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H13N3O6
Molecular Weight 247.2053
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:12:48 UTC 2023
Edited
by admin
on Sat Dec 16 09:12:48 UTC 2023
Record UNII
4BLU68P76A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PR-69
Code English
(2R,3S)-3-((2-NITRO-1H-IMIDAZOL-1-YL)METHOXY)-1,2,4-BUTANETRIOL
Common Name English
1,2,4-BUTANETRIOL, 3-((2-NITRO-1H-IMIDAZOL-1-YL)METHOXY)-, (2R,3S)-
Systematic Name English
1,2,4-BUTANETRIOL, 3-((2-NITRO-1H-IMIDAZOL-1-YL)METHOXY)-, (S-(R*,S*))-
Systematic Name English
Code System Code Type Description
CAS
161903-10-2
Created by admin on Sat Dec 16 09:12:48 UTC 2023 , Edited by admin on Sat Dec 16 09:12:48 UTC 2023
PRIMARY
PUBCHEM
164486
Created by admin on Sat Dec 16 09:12:48 UTC 2023 , Edited by admin on Sat Dec 16 09:12:48 UTC 2023
PRIMARY
FDA UNII
4BLU68P76A
Created by admin on Sat Dec 16 09:12:48 UTC 2023 , Edited by admin on Sat Dec 16 09:12:48 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
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ACTIVE MOIETY