Mrv0541 02241215072D          

 14 13  0  0  0  0            999 V2000
   -2.1805    1.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4660    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371    1.7089    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6774    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918    1.7089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8208    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5353    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2497    1.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774    0.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371    2.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641    0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391    0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  2  0  0  0  0
  4 12  1  1  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09357

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)(CO)[C@@H](O)C(=O)NCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1

> <INCHI_KEY>
SNPLKNRPJHDVJA-ZETCQYMHSA-N

> <FORMULA>
C9H19NO4

> <MOLECULAR_WEIGHT>
205.2515

> <EXACT_MASS>
205.131408101

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-2.0721060667619902e-06

> <JCHEM_AVERAGE_POLARIZABILITY>
21.87326409563999

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

> <ALOGPS_LOGP>
-1.00

> <JCHEM_LOGP>
-1.7005134243333335

> <ALOGPS_LOGS>
-0.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.016110435805928

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.685869948391622

> <JCHEM_PKA_STRONGEST_BASIC>
-2.390706370314997

> <JCHEM_POLAR_SURFACE_AREA>
89.79

> <JCHEM_REFRACTIVITY>
51.8848

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.21e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09357

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Dexpanthenol

> <SYNONYMS>
(+)-Panthenol; (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide; Bepanthen; Bepanthene; Bepantol; D-panthenol; D-panthenol 50; D-Pantothenol; D-Pantothenyl alcohol; D(+)-Panthenol; Dexpantenol; Dexpanthenol; Dexpanthenolum; Pantol; Pantothenyl alcohol; Provitamin B

> <PRODUCTS>
Adult Infuvite Multiple Vitamins; Alsimine W Vitamins A D; Aquasol A Cream; Atomy Herbal Hair Tonic; B Complex W C and B12 Inj; B Vitamin Compound With B12 Thunas; B-Combo; B-plex 100; Babysons; Beminal Fortis Elx; Beminal W C Fortis Inj; Beminal With C Fortis Pws; Black Repair Hair Boosting Tonic; CH6 Perfumed Aloforthya Aromatic herb; CH6 Perfumed Aloforthya Dewy fieno; CH6 Perfumed Aloforthya Floralsoap; CH6 Perfumed Aloforthya Peony and the sunset; CH6 Scalp Ssag Serum Red Edition; Ch6 Greenol Herb Aloforthya Deep Forest; Ch6 Greenol Herb Aloforthya Greentea Wood; Ch6 Greenol Herb Aloforthya White Citrus; Ch6 Greenol Herb Hair Control Non Wash Treatment; Ch6 Scalp Ssag Serum; Crazyskin Beers; Crazyskin Beers Premium; Daily all in one ample; Deriton; Derma Charcoal Mask; Derma Hand Repair; Dexpanthenol; Dynam Ampoule Et Tablet; EVERYTOKTOK Hair Tonic; Ellis Tonic; Eros Aqua Sensations and Care Woman; Fortaplex Inj; Geritol Liquid; HASOL Anagen Hair Tonic; HASOL Anagen Scalp; HASOL Anti Hair Loss; HASOL Vital For Hair-Loss Tonic; Hair Loss Care-shampoo; Hair loss care-shampoo; Infuvite Adult Multiple Vitamins; Lipovite; M.V.I. Adult; M.V.I. Pediatric; M.V.I.-12; MONPURIEL Daily all in one ample; MONPURIEL Hair Loss Care-shampoo; MONPURIEL Hair loss care-shampoo; MONPURIEL Scalp deep cleansing-shampoo; Miracle Stemcell All-IN-one; Multi 12 Injection; Multi-12 Pediatric; Multi-12/k1 Pediatric; Multivit Et Fer Ampoules Et Comprimes; Mvc 9 Plus 3 Inj; Mvc 9+4 Inj; Mycelized Childrens Multi-vitamin Liq; Ndm Scalp; Neo Bex Elixir; Neo-bex Injectable; Notamo Hair Tonic; Nrg Plus Liq; Pediatric Infuvite Multiple Vitamins; Pediatric Infuvite Multiple Vitamins for Infusion; Pelo Scalp Tonic Sheet; Perfect Pore Clean I; Phytoplex B Liq; Revitex Ampoules Et Comprimes; Scalp deep cleansing-shampoo; Somarexin and C 1000; Super Vitalex Ampoule Buvable; Supravite 10ml Ampoule; Supravite C 1000; The Fact Hair Care Scalp Booster Ampoule; Therapytion Hair Tonic; Tini-cal Ampoules; Tonicol Et A-D-C Ampoules/comprimes; Vitafer - Liq; Vitalizer White; Vitamin B Complex; Vitamin B Complex 100; Vitamin B-Complex; Vitamine Du Groupe B Plus Fer - Liq; W.skin Anti Hair Loss; Yakkongmo hair serum tonic; Yakkongmo scalp deep cleansingshampoo; Yakkongmo treatment; Yozum Well Being Hair Color

> <INTERNATIONAL_BRANDS>
Cozyme; Ilopan; Motilyn; Panadon; Panthoderm; Synapan; Thenalton; Zentinic

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