Mrv1718005161812522D          

 16 16  0  0  0  0            999 V2000
   -0.3528    0.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3528   -0.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0686    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0686   -1.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7844    0.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7844   -0.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5001    0.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5001   -1.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0785    0.0745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7943    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001    0.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    1.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5020   -0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6651   -0.5119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4563   -1.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  9  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 14 10  1  0  0  0  0
 10 15  1  1  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00190

> <DATABASE_NAME>
drugbank

> <SMILES>
C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1

> <INCHI_KEY>
TZFNLOMSOLWIDK-JTQLQIEISA-N

> <FORMULA>
C10H14N2O4

> <MOLECULAR_WEIGHT>
226.2292

> <EXACT_MASS>
226.095356946

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
21.806808336346297

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid

> <ALOGPS_LOGP>
-0.16

> <JCHEM_LOGP>
-1.2078362008406989

> <ALOGPS_LOGS>
-1.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.28650563164388

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3544595300449216

> <JCHEM_PKA_STRONGEST_BASIC>
5.663329899668677

> <JCHEM_POLAR_SURFACE_AREA>
115.80999999999999

> <JCHEM_REFRACTIVITY>
68.7683

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.73e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbidopa

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00190

> <SECONDARY_ACCESSION_NUMBERS>
APRD00160

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Carbidopa

> <SYNONYMS>
(-)-L-alpha-Hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid monohydrate; (S)-(−)-carbidopa; (S)-carbidopa; (αS)-α-hydrazino-3,4-dihydroxy-α-methylbenzenepropanoic acid; Carbidopa; Carbidopa (anhydrous); Carbidopa anhydrous; Carbidopum; L-3-(3,4-dihydroxyphenyl)-2-methyl-2-hydrazinopropionic acid; L-α-methyldopahydrazine

> <PRODUCTS>
Aa-levocarb CR; Apo-levocarb - Tab 10mg/100mg; Apo-levocarb - Tab 25mg/250mg; Apo-levocarb-tab 25mg/100mg; Auro-levocarb; Carbidopa; Carbidopa Tablets, 25 mg; Carbidopa and Levodopa; Carbidopa and levodopa; Carbidopa, Levodopa and Entacapone; Carbidopa, Levodopa, and Entacapone; Carbidopa, levodopa and entacapone; Carbidopa-levodopa; Corbilta; Dhivy; Dom-levo-carbidopa; Duodopa; Duopa; Jamp Levocarb; Levodopa, Carbidopa and Entacapone Tablets; Levodopa-carbidopa CR; Levodopa/carbidopa/entacapone Orion; Lodosyn; Mint-levocarb; Nu-levocarb; Numient; Parcopa; Pro-lecarb-100/10 - Tab; Pro-lecarb-100/25 - Tab; Pro-levocarb - 100/25; Ratio-levodopa/carbidopa; Rytary; Sandoz Levodopa-carbidopa-entacapone; Sinemet; Sinemet 100/10; Sinemet CR; Sinemet CR 100/25; Sinemet CR 200/50; Stalevo; Teva-levocarbidopa

> <SALTS>
Carbidopa hydrate

$$$$