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
> <DATABASE_ID>
DB00302

> <DATABASE_NAME>
drugbank

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

> <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>
GYDJEQRTZSCIOI-LJGSYFOKSA-N

> <FORMULA>
C8H15NO2

> <MOLECULAR_WEIGHT>
157.2102

> <EXACT_MASS>
157.110278729

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0013840016353354745

> <JCHEM_AVERAGE_POLARIZABILITY>
17.27882400131464

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.42

> <JCHEM_LOGP>
-1.5523915649706275

> <ALOGPS_LOGS>
-0.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.55825346408191

> <JCHEM_PKA_STRONGEST_BASIC>
10.220233332069741

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
41.9037

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.82e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00302

> <SECONDARY_ACCESSION_NUMBERS>
APRD01270; EXPT00508

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Tranexamic acid

> <SYNONYMS>
Acide tranéxamique; ácido tranexámico; Acidum tranexamicum; Tranexamic acid; Tranexamsaeure; Tranexmic acid; Tranhexamic acid; Trans AMCHA; trans-4-(Aminomethyl)cyclohexanecarboxylic acid; trans-4-aminomethylcyclohexane-1-carboxylic acid; trans-Amcha; trans-Tranexamic acid

> <PRODUCTS>
Cyklokapron; Cyklokapron 100 mg/ml; Cyklokapron 500 mg; Erfa-tranexamic; Gd-tranexamic Acid; Liquid; Lysteda; Mar-tranexamic Acid; Pure Whitenol Serum; SKINMD LABORATORIES ReviTox blue; Skinmd Laboratories Pure Whitenol Intensive; Skinmd Laboratories Pure Whitenol Serum; Tranexamic Acid; Tranexamic Acid In Sodium Chloride; Tranexamic Acid Injection; Tranexamic Acid Injection BP; Tranexamic Acid Injection, USP; Tranexamic Acid Tablets; Tranexamic acid

> <INTERNATIONAL_BRANDS>
Cyclo-F; Espercil; Femstrual; Rikavarin; Transamin; Transcam; Traxyl

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