KEGG   DRUG: PropiolactoneHelp
Entry
D05630                      Drug                                   

Name
Propiolactone (USAN/INN);
Betaprone (TN)
Formula
C3H4O2
Exact mass
72.0211
Mol weight
72.0627
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C19297
Efficacy
Disinfectant
Other DBs
CAS: 57-57-8
PubChem: 47207292
ChEBI: 49073
ChEMBL: CHEMBL1200627
LigandBox: D05630
NIKKAJI: J2.327B
LinkDB All DBs
KCF data Show

ATOM        5
            1   O7x O    16.5200  -17.2900
            2   C1x C    16.5200  -18.6900
            3   C1x C    17.9200  -18.6900
            4   C7x C    17.9200  -17.2900
            5   O6a O    18.9099  -16.3001
BOND        5
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     4   5 2

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