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Details

Stereochemistry ACHIRAL
Molecular Formula C4H9NO4
Molecular Weight 135.1186
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-BUTANEDIOL MONONITRATE

SMILES

OCCCCO[N+]([O-])=O

InChI

InChIKey=FBOGSWRRYABFKU-UHFFFAOYSA-N
InChI=1S/C4H9NO4/c6-3-1-2-4-9-5(7)8/h6H,1-4H2

HIDE SMILES / InChI

Molecular Formula C4H9NO4
Molecular Weight 135.1186
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 Sat Dec 16 13:59:22 UTC 2023
Edited
by admin
on Sat Dec 16 13:59:22 UTC 2023
Record UNII
U1Q234E2R1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-BUTANEDIOL MONONITRATE
Common Name English
1,4-BUTYLENE GLYCOL MONONITRATE
Common Name English
BUTANEDIOL MONONITRATE
Common Name English
1-HYDROXY-4-BUTYL NITRATE
Common Name English
1,4-BUTANEDIOL, MONONITRATE
Common Name English
1,4-BUTANEDIOL, 1-NITRATE
Common Name English
Code System Code Type Description
FDA UNII
U1Q234E2R1
Created by admin on Sat Dec 16 13:59:22 UTC 2023 , Edited by admin on Sat Dec 16 13:59:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID50434038
Created by admin on Sat Dec 16 13:59:22 UTC 2023 , Edited by admin on Sat Dec 16 13:59:22 UTC 2023
PRIMARY
PUBCHEM
10011944
Created by admin on Sat Dec 16 13:59:22 UTC 2023 , Edited by admin on Sat Dec 16 13:59:22 UTC 2023
PRIMARY
DRUG BANK
DBMET02011
Created by admin on Sat Dec 16 13:59:22 UTC 2023 , Edited by admin on Sat Dec 16 13:59:22 UTC 2023
PRIMARY
CAS
22911-39-3
Created by admin on Sat Dec 16 13:59:22 UTC 2023 , Edited by admin on Sat Dec 16 13:59:22 UTC 2023
PRIMARY
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