620
  Mrv0541 02231214492D          

 30 33  0  0  1  0            999 V2000
    4.1400   -0.1892    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6263    1.0402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559    0.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864   -0.4087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013    0.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1317    2.0434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.5144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0993    0.0038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0993   -0.8212    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3849   -1.2337    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6703   -0.8212    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8799    0.2553    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3849    0.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8799   -1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703    0.0038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3614   -0.4087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9196   -1.2393    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3981   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0993    0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572   -2.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130   -2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5482    0.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1550   -0.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1413   -2.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4634    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730   -1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1691   -1.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589   -1.5593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
 12  2  1  6  0  0  0
 15  3  1  1  0  0  0
 16  4  1  6  0  0  0
  5 22  2  0  0  0  0
  6 26  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  1  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  6  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 30  1  1  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 21  1  0  0  0  0
 17 23  1  1  0  0  0
 17 24  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00620

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1

> <INCHI_KEY>
GFNANZIMVAIWHM-OBYCQNJPSA-N

> <FORMULA>
C21H27FO6

> <MOLECULAR_WEIGHT>
394.4339

> <EXACT_MASS>
394.179166801

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.8152883636232637e-05

> <JCHEM_AVERAGE_POLARIZABILITY>
39.79913298968786

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,2,10-trihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

> <ALOGPS_LOGP>
0.84

> <JCHEM_LOGP>
0.241693246333333

> <ALOGPS_LOGS>
-2.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.42318690071421

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.753296476237399

> <JCHEM_PKA_STRONGEST_BASIC>
-3.324211458917763

> <JCHEM_POLAR_SURFACE_AREA>
115.06

> <JCHEM_REFRACTIVITY>
99.38279999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.47e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00620

> <SECONDARY_ACCESSION_NUMBERS>
APRD00422

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Triamcinolone

> <SYNONYMS>
11β,16α,17α,21-tetrahydroxy-9α-fluoro-1,4-pregnadiene-3,20-dione; 9-fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; 9α-fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; 9α-fluoro-11β,16α,17α,21-tetrahydroxypregna-1,4-diene-3,20-dione; 9α-fluoro-16α-hydroxyprednisolone; Fluoxyprednisolone; Tiamcinolonum; Triamcinolona; Triamcinolone; Triamcinolonum

> <PRODUCTS>
24 Hour Nasal Allergy; AllerNaze; Allergy Nasal; Apo-triamcinolone AQ; Aristocort; Aristocort - Syr Orl 0.4mg/ml; Aristocort - Tab 4mg; Aristocort C; Aristocort C Crm 0.5%; Aristocort D - Crm Top 0.025%; Aristocort D Crm 0.025%; Aristocort Forte - Liq Ia Im Isy 40mg/ml; Aristocort Forte Inj 40mg/ml; Aristocort Inj Intralesional 25mg/ml; Aristocort Inj Intralesional-25mg/ml; Aristocort R; Aristocort R Crm 0.1%; Aristocort R Ont 0.1%; Aristocort Syr 2mg/5ml; Aristocort Tab 2mg; Aristocort Tab 4mg; Aristocort-tab 2mg; Aristoform R Crm 0.1%; Aristospan; Aristospan Sus 20mg/ml; Arze-ject-A; Azmacort; Basic Care Nasal Allergy; Bt; Bupivilog Kit; Calcipotriene 0.005% / Triamcinolone Acetonide 0.1%; CareOne Allergy Relief; Childrens Nasacort Allergy 24HR; Childrens Nasal Allergy; Cortaren Corticosteroid/Anti-Inflammatory System; DG Health Nasal Allergy; DermacinRx Cinlone-I CPI; DermacinRx Cinlone-II CPI; DermacinRx SilaPak; DermacinRx Silazone Pak; DermacinRx Trizapak; Dermasilkrx SDSpak; Dermasorb TA Complete Kit; Dermawerx SDS Pak; Dermazone; Ellzia Pak; Equaline nasal allergy; Equate Nasal Allergy; Foster and Thrive 24 Hour Nasal Allergy; Good Neighbor Pharmacy 24 Hour Nasal Allergy; Good Sense Nasal Allergy; Harris Teeter Nasal Allergy; Health Mart 24 hour nasal allergy; Healthy Accents Nasal Allergy; Hexatrione 2%; Hydroquinone 4% / Tretinoin 0.025% / Triamcinolone Acetonide 0.025%; Hydroquinone 5% / Tretinoin 0.025% / Triamcinolone Acetonide 0.025%; Hydroquinone 6% / Tretinoin 0.05% / Triamcinolone 0.025%; Interarticular Joint Kit; JTT Physicians Joint, Tunnel and Trigger; Juulissa Pharmapak; K10-lido; K40-lido; Kenacomb Cream; Kenacomb Mild Cream; Kenacomb Mild Ointment; Kenacomb Ointment; Kenacomb Ont; Kenalog; Kenalog Cream 0.1%; Kenalog In Orabase 0.1%; Kenalog Ointment 0.1%; Kenalog Ont 0.1%; Kenalog-10; Kenalog-10 Injection 10mg/ml; Kenalog-40; Kenalog-40 Injection 40mg/ml; Kenalog-80; Kirkland Signature Aller Cort; Kourzeq; Leader Nasal Allergy; Levocetirizine Dihydrochloride 2% / Mupirocin 2% / Triamcinolone Acetonide 0.025%; Lidolog Kit; Lt; MLK F1 Kit; MLK F3 Kit; MLK F4 Kit; MLK Kit F2; Mecomb Crm 0.1%; Mlp A-1; Mlp A-2; Mycolog-II; NASAL Allergy 24 Hour; NEWSDS pak; Naltrexone; Nasacort; Nasacort AQ; Nasacort Allergy 24HR; Nasacort Allergy 24hr; Nasacort HFA; Nasal Allergy; Nasal Spray Allergy 24hr; Niacinamide 4% / Triamcinolone Acetonide 0.1%; NuTriaRX CreamPak; Nystatin and Triamcinolone; Nystatin and Triamcinolone Acetonide; Nystatin and triamcinolone acetonide; Omnitrenidol; Oracort; Oralone; Oramedy; P-Care K40; P-Care K40G; P-Care K40MX; P-Care K80; P-Care K80G; P-Care K80MX; Pediaderm TA; Pentoxifylline 0.5% / Triamcinolone Acetonide 0.1%; Physician EZ Use Joint Tunnel and Trigger Kit; Physician EZ Use Joint Tunnel and Trigger Kit II; Point Of Care Kit KM; Pro-C-Dure 1 Kit; Pro-C-Dure 2 Kit; Pro-C-Dure 3 Kit; Pro-C-Dure 4 Kit; Pro-C-Dure 5 Kit; Pro-C-Dure 6 Kit; Protherix; ReadySharp Triamcinolone; ReadySharp-K; SanaDermRx SKin Repair; Scarzen; Scheinpharm Triamcine-A Inject.sus-40mg/ml; Shoprite Nasal Allergy; Signature Care Nasal Allergy; Sila III; SilaLite Pak; Silazone-II; Smart Sense Nasal Allergy; Sure ResultTAC Pak; Syynerra Pak; Teva-triacomb; Theraderm Cream; Topcare Nasal Allergy; Treziopak; Tri-Sila; TriHeal-80; TriaDime; TriaDime-80; Triaderm Crm 0.025%; Triaderm Crm 0.1%; Triaderm Ont 0.025%; Triaderm Ont 0.1%; Triamazole; Triamcinolone Acetonide; Triamcinolone Acetonide Glucocorticoid; Triamcinolone Acetonide Injectable Suspension USP; Triamcinolone Acetonide Nasal; Triamcinolone Acetonide in Absorbase; Triamcinolone Diacetate Sus 40mg/ml; Triamcinolone Diacetate Suspension; Triamcinolone acetonide; Triamcinolone-Moxifloxacin PF; Trianex; Trianex 0.05%; Triasil; Triderm; Triesence; Triloan II SUIK; Triloan SUIK; Trilociclo; Trispan; Tritocin; Trivaris; Trivix; Trivix Lite; Up and Up Nasal Allergy; Viaderm Kc Crm; Viaderm Kc Ont; WhyteDerm TDPak; WhyteDerm Trilasil Pak; Xipere; Yaliira Pak; Zilretta

> <INTERNATIONAL_BRANDS>
Delphicort; Flutex; Kenacort; Omcilon-A; Oracort; Tri-Nasal; Triacet; Triacort; Triaderm; Tricortone; Trilone; Tristoject

> <SALTS>
Triamcinolone acetonide; Triamcinolone diacetate; Triamcinolone hexacetonide

$$$$