KEGG   COMPOUND: C01551
Entry
C01551                      Compound                               
Name
Allantoin;
5-Ureidohydantoin;
Glyoxyldiureide
Formula
C4H6N4O3
Exact mass
158.044
Mol weight
158.1154
Structure
Remark
Same as: D00121
Comment
Generic compound in reaction hierarchy
(R)-Allantoin [CPD:C02348]
(S)-Allantoin [CPD:C02350]
Brite
Classification of Japanese OTC drugs [BR:br08313]
 Agents for  urogenital organs and anus
  30 Hemorrhoid drugs for external use
   D00121  Allantoin (JAN/USP)
 Agents for integumentary system
  55 Chilblain and chap remedies
   D00121  Allantoin (JAN/USP)
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D00121  Allantoin (JAN/USP)
 Agents for ophthalmologic use
  62 General eye drops
   D00121  Allantoin (JAN/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Allantoin
    D00121  Allantoin (JAN/USP)
Other DBs
CAS: 97-59-6
PubChem: 4709
ChEBI: 15676
KNApSAcK: C00007468
3DMET: B00317
NIKKAJI: J3.978K
KCF data

ATOM        11
            1   C1y C    21.9677  -15.6281
            2   N1x N    22.4062  -14.3008
            3   C5x C    20.5701  -15.6281
            4   N1b N    22.7921  -16.7623
            5   C5x C    21.2718  -13.4764
            6   N1x N    20.1316  -14.3008
            7   O5x O    19.7516  -16.7623
            8   C5a C    24.1837  -16.7561
            9   O5x O    21.2718  -12.0731
            10  N1a N    25.0022  -17.7505
            11  O5a O    24.7507  -15.4815
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     8  10 1
            10    8  11 2
            11    5   6 1

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