Mrv1572004221606032D          

 20 19  0  0  0  0            999 V2000
    0.5001   -1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2143   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2143   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9288    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001    1.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6433   -0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9288    1.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293   -1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2437    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2437   -1.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2437    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293   -0.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2437   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003    1.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9582    1.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11079

> <DATABASE_NAME>
drugbank

> <SMILES>
OCCN(CCO)CCO.OC(=O)C1=CC=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2

> <INCHI_KEY>
UEVAMYPIMMOEFW-UHFFFAOYSA-N

> <FORMULA>
C13H21NO6

> <MOLECULAR_WEIGHT>
287.312

> <EXACT_MASS>
287.1368874

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
12.820220670908594

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[bis(2-hydroxyethyl)amino]ethan-1-ol; 2-hydroxybenzoic acid

> <ALOGPS_LOGP>
1.96

> <JCHEM_LOGP>
1.977263402333333

> <ALOGPS_LOGS>
-1.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.228682517040586

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7897391795725692

> <JCHEM_PKA_STRONGEST_BASIC>
-6.285929432184692

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
35.2951

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.13e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
salicylic; triethanolamine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11079

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Trolamine salicylate

> <SYNONYMS>
Trolamine salicylate

> <PRODUCTS>
Abr 90; Actiflex Pain Relief Rub; Alcis Daily Relief Pain Relief; Alcis Topical Pain Relief Cream; Analgesic; Analgesic Cream; Analgesic Cream Extra Strength Odorless; Analgesic Creme Rub; Antiphlogistine Rub A-535 No Odour Fmla Ont; Arthricream; Arthricream with Aloe; Arthritic Pain; Arthritis; Arthritis Cream; Arthritis Creme; Arthritis Extra Strength Roll-ON Lotion; Arthritis Hand CVS; Arthritis Leader; Arthritis Pain Relief; Arthritis Pain Relief Cream; Arthritis Pain Relief Lotion; Arthritis Relief; Arthritis Relief Maximum Strength; Arthritis Relief Well At Walgreens; Arthritis Reliev CVS; Arthritis with Aloe CVS; Arthur Itis Cream; Asper-Flex Cream; Aspercreme 10%; Aspercreme Creme Rub 10%; Aspercreme Extra Strength Crm Rub; Aspercreme Pain Relieving; Basic Care Arthritis; Bengay Muscle Pain No Odour; Blue-Emu Maximum Arthritis Pain Relief Cream; Blue-Emu Maximum Pain Relief; Blue-Emu Pain Relief Micro-Foam; Blue-Emu Ultra with Hemp Seed; Bluegesic; Blumjk Pain Relief; CBD Pain Relief Cream; CBDRelief Pain Relief Body; Camerhoign; CannEssentia Pain Relief Cream; Cannaflex; Care One Analgesic; Copperlife Pain Relief; Cramp Calm Muscle Pain Relief Foam; DCH Arthritis Relief; Daily Therapy Arthritis Hand Cream CVS Health; Dr Joe lab ARTHRITIS EXTRA STRENGTH; ELF Flawless Finish Foundation SPF 15 Oil Free; Ease Pain Away Analgesic Lotion; Ease Pain Away Analgesic Roll-ON Lotion; Equate Odor-Free Therapy Arthritis Analgesic; Extra Strength Aspercreme Creme Rub 15%; Flexacreme; Flexacrème Extra-strength; Flexacrème Pain Relief Rub; Formucare Ultraspeed Sports Advantage; Formucare Ultraspeed Sports Advantage Pain Releiving Liquid; Good Neighbor Pharmacy Arthritis Cream; Good Neighbor Pharmacy Arthritis Pain; Health Mart Arthritis Creme; Hemp Pain Relief; Hempvana Gold Pain Relief; Hempvana Maximum Strength Pain Relief; Hempvana Maximum Strength Pain Relief - Platinum; Hempvana Pain Relief; Inflatherm; Inmotion Pain Creme Original Strength; Inmotion Pain Creme Ultra Strength; KRT Athletic Muscle Gel; Kroger Odor Free Arthricream Rub Pain Relieving; Leader Maximum Strength Pain Relieving Analgesic; Maximum Strength Blue Emu Pain Relief Blu Emu; Meijer Analgesic with Aloe Topical Analgesic; Meijer Pain Relieving Balm Analgesic; Mobisyl; Muscle & Joint No Odour Extra Strength; Muscle & Joint No Odour Regular Strength; Muscul Aid; Myoflex; Myoflex Arthritic Cream; Myoflex Arthritic Cream 15%; Myoflex Deep Therapy; Myoflex Extra Cream; Myoflex Extra Cream 15%; Myoflex Extra Strength; Myoflex Extra Strength Ice; Myoflex Ice Cold Plus - Gel; Myoflex Ice Plus - Crm; Myoflex Maximum Strength; Myoflex Pain Relieving Cream; Myoflex Platinum; Myoflex Regular Cream 10%; Myoflex Regular Strength; Myoflex Ultra Strength; No Odour Cream; No Odour Pain Relief Cream; Odourless Arthritis Relief; Pain Relief Cream; Pain Relief Odor Free; Pain Relief Rub Triethanolamine Salicylate Cream; Pain Relieving Topical Analgesic; Permavan External Patch; Real Time Pain Relief Therapeutic Hand Cream; Regular Strength No Odour Cream; Royflex Analgesic Creme - 10%; Smart Sense Analgesic; Smart Sense Arthritis; Sportscreme; Sunmark Arthricream Rub; Teds Topical Pain Gel Roll On; Terpacan Back & Muscle Pain; Tommie Copper Pain Relief; Tommie Copper Pain Relief Maximum Strength; Topical Pain Relief; Trolamine Salicylate; Ultra Strength No Odour Cream; Ultra Strength Pain Relief Rub; Ultracin T; Uncle Buds Hemp Pain Relief; Uncle Buds Pain Relief; Uncle Buds Roll-On Pain Relief; Up and Up Odor-free Pain Relieving Cream; Up and Up Pain Relief Odorless; Vantelin Odorless Pain Relieving; Walgreens Pain Relieving Plus Turmeric Analgesic; Warrior Arthritis Relief; Xceptol Pain Unscented; Xceptor Cbd Pain Lavender; Xceptor Cbd Pain Unscented

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