Mrv0541 04191212112D          

 11 11  0  0  0  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  5  4  1  0  0  0  0
  5  8  1  1  0  0  0
  2  6  1  0  0  0  0
  6  3  1  0  0  0  0
  6 10  1  6  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00302

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Tranexamic Acid

> <SYNONYMS>
Tranexamsaeure; tranexmic acid; Tranhexamic acid; Trans AMCHA; trans-4-aminomethylcyclohexane-1-carboxylic acid; trans-Amcha; trans-Tranexamic acid

> <BRANDS>
Amcha; Amikapron; Amstat; Anvitoff; Carxamin; Cyclocapron; Cyklokapron; Emorhalt; Frenolyse; Mastop; Rikavarin; Rikavarin-S; Tamcha; Tranexan; Transamin; Trasamlon; Ugurol

> <CHEMICAL_FORMULA>
C8H15NO2

> <MOLECULAR_WEIGHT>
157.2102

> <EXACT_MASS>
157.110278729

> <IUPAC_NAME>
(1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylic acid

> <INCHI_IDENTIFIER>
InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-

> <INCHI_KEY>
InChIKey=GYDJEQRTZSCIOI-LJGSYFOKSA-N

> <SMILES>
NC[C@H]1CC[C@@H](CC1)C(O)=O

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
2

> <ALOGPS_LOGP>
-1.4

> <JCHEM_LOGP>
-1.6

> <ALOGPS_LOGS>
-0.94

> <JCHEM_POLARIZABILITY>
17.28

> <JCHEM_POLAR_SURFACE_AREA>
63.32

> <JCHEM_REFRACTIVITY>
41.9

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <ALOGPS_SOLUBILITY>
1.82e+01 g/l

$$$$