KEGG   COMPOUND: C13427Help
Entry
C13427                      Compound                               

Name
Pyrithione zinc;
Zinc pyrithione
Formula
(C5H4NOS)2. Zn
Exact mass
315.9319
Mol weight
317.7217
Structure
Mol fileKCF fileDB search
Remark
Same as: D01938
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AX Other dermatologicals
     D11AX12 Pyrithione zinc
      D01938  Pyrithione zinc (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 13463-41-7
PubChem: 586169
ChEBI: 32076
ChEMBL: CHEMBL3392049
NIKKAJI: J10.212A
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8x C    21.2800  -12.4600
            2   C8x C    21.2800  -13.8600
            3   C8x C    22.4700  -14.5600
            4   C8y C    23.7300  -13.8600
            5   N4y N    23.7300  -12.4600
            6   C8x C    22.4700  -11.7600
            7   O1b O    24.9200  -11.7600 #-
            8   S0  S    24.9200  -14.5600
            9   O1b O    28.9100  -14.5600 #-
            10  C8x C    32.5500  -13.8600
            11  C8x C    32.5500  -12.4600
            12  C8x C    31.3600  -11.7600
            13  C8y C    30.1000  -12.4600
            14  N4y N    30.1000  -13.8600
            15  C8x C    31.3600  -14.5600
            16  S0  S    28.9100  -11.7600
            17  Z   Zn   26.5300  -13.1600 #2+
BOND        16
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     5   7 1
            8     4   8 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   10  15 2
            15   14   9 1
            16   13  16 2

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