KEGG DRUG: Octoxynol 9

DRUG: Octoxynol 9

Entry

D05229                      Drug

Name

Octoxynol 9 (NF);
Octoxinol (INN);
Polyoxysthylene mono(octylphenyl) ether;
Triton X-100 (TN)

Formula

C14H22O(C2H4O)n

Structure

Simcomp

Remark

Same as:

C11623

Efficacy

Pharmaceutic aid (surfactant)

Other DBs

CAS:

9002-93-1

PubChem:

ChEBI:

LigandBox:

NIKKAJI:

KCF data

ATOM        18
            1   O1a O    31.8500  -18.0600
            2   C1b C    30.0300  -18.6900
            3   C1b C    28.8400  -18.0600
            4   O2a O    27.5100  -18.6900
            5   C8y C    25.7600  -18.0600
            6   C8x C    25.7600  -16.6600
            7   C8x C    24.5700  -16.0300
            8   C8y C    23.3800  -16.6600
            9   C8x C    23.3800  -18.0600
            10  C8x C    24.5700  -18.6900
            11  C1d C    22.2600  -16.0300
            12  C1a C    21.4900  -14.9100
            13  C1b C    21.0700  -16.6600
            14  C1d C    19.8800  -16.0300
            15  C1a C    22.8900  -14.8400
            16  C1a C    19.8800  -14.3500
            17  C1a C    18.7600  -16.6600
            18  C1a C    18.7600  -15.3300
BOND        18
            1     8   9 1
            2     9  10 2
            3    10   5 1
            4     2   3 1
            5     8  11 1
            6     1   2 1
            7    11  12 1
            8     3   4 1
            9    11  13 1
            10   13  14 1
            11    4   5 1
            12   11  15 1
            13    5   6 2
            14   14  16 1
            15    6   7 1
            16   14  17 1
            17    7   8 2
            18   14  18 1
BRACKET     1    26.7400  -19.3200   26.7400  -17.4300
            1    30.3100  -17.4300   30.3100  -19.3200
            1  n
ORIGINAL  1    2   3   4
REPEAT    1

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All links

Drug (1)   
   LigandBox (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (2)   
   NIKKAJI (1)   
All databases (6)   

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