Mrv0541 02231217552D          

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M  END
> <DATABASE_ID>
DB11256

> <DATABASE_NAME>
drugbank

> <SMILES>
CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2

> <INCHI_IDENTIFIER>
InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1

> <INCHI_KEY>
ZNOVTXRBGFNYRX-STQMWFEESA-N

> <FORMULA>
C20H25N7O6

> <MOLECULAR_WEIGHT>
459.4558

> <EXACT_MASS>
459.186631567

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.978934761390005

> <JCHEM_AVERAGE_POLARIZABILITY>
46.558818427570316

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid

> <ALOGPS_LOGP>
-0.58

> <JCHEM_LOGP>
-2.976593255897218

> <ALOGPS_LOGS>
-3.14

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.9330027685146676

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.230554884149143

> <JCHEM_PKA_STRONGEST_BASIC>
5.32366211613935

> <JCHEM_POLAR_SURFACE_AREA>
198.48000000000002

> <JCHEM_REFRACTIVITY>
126.68129999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.32e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11256

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Levomefolic acid

> <SYNONYMS>
(6S)-5-methyltetrahydrofolate; (6S)-5-Methyltetrahydrofolic acid; (6S)-5-MTHF; 5-methyl-(6S)-tetrahydrofolic acid; L-5-methyltetrahydrofolate; L-5-MTHF; L-methylfolate; Levomefolate; Levomefolic acid; LMSR; N-[4-[[[(6S)-2-Amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-L-glutamic acid

> <PRODUCTS>
Beyaz; Biopar delta-FORTE; BumP DHA; Chromagen; Davimet with Fluoride; Davimet-M; Denovo; Drospirenone, Ethinyl Estradiol and Levomefolate Calcium and Levomefolate Calcium; Drospirenone/Ethinyl Estradiol/Levomefolate Calcium and Levomefolate Calcium; Drospirenone/ethinyl estradiol/levomefolate calcium and levomefolate calcium; EnBrace HR; EnLyte; Enl; Floriva; Floriva Plus; FolaMax; Folene; Folixate; Hematron-AF; Hemax; KeyFolic; L-Methyl MC; L-Methyl MC NAC; L-Methyl PNV DHA; L-Methyl-B6-B12; L-Methyl-MC; L-Methyl-MC-NAC; L-Methylfolate Calcium; Levomefolate Calcium Acetylcysteine Mecobalamin Algal; Levomefolate Calcium Acetylcysteine and Mecobalamin Algal; Levomefolate Calcium Pyridoxal-5 Phosphate Mecobalamin Algal; Levomefolate Calcium and Algal; Levomefolate Calcium and Schizochytrium DHA; Levomefolate Calcium, Acetylcysteine, Mecobalamin and Algal; Levomefolate Calcium, Cyanocobalamin and Pyridoxine Hydrochloride; Levomefolate Calcium, Pyridoxal 5-phosphate, Methylcobalamin and Schizochytrium DHA Oil; Levomefolate Calcium-Pyridoxal Phosphate-Mecobalamin; Livita Adults; Livita Children; LorMate; MaxFe; Maxaron Forte; Medi-10; Menatrol; Multi-Vit-Flor; Multitol-M; Multivitamin with Fluoride; Natal PNV; Niferex; NuFera; OBTREX DHA Combo Pack; Obstetrix DHA Combo Pack; Obstetrix EC; Obstetrix ONE; Obtrex One; PNV Tabs 20-1; Poly-VI-flor; Poly-Vi-Flor; Poly-Vi-Flor with Iron; PramLyte; PreGenna; Prenate Elite; Prenate Essential; Prenate Mini; Prenate Pixie; ProFola; Puralor; Quflora FE; Quflora FE Pediatric Drops; Quflora Pediatric; Quflora Pediatric Drops; Rajani; Rulavite DHA; Safyral; Select OB; Select-OB Plus DHA Prenatal Supplement Plus DHA; Sodium polysulthionate, 5-methyltetrahydrofolate; Sulfzix; TL-Folate; Tendera-OB; Tri-Vi-Flor; TriStart DHA; Tricare Prenatal 2-part Daily Prenatal Vitamin System; Tricare Prenatal DHA One With Folate; Tricare Prenatal Quick Dissolve; Tydemy; Virt-PN; Virt-PN DHA; Virt-PN Plus; Virt-Pn; Virt-Pn DHA; Vitafol Fe Plus; Vitafol Nano; Vitafol Ultra; WellFola; WesCap-PN DHA; WestGel DHA; Yasmin Plus; Yaz Plus; Zatean-Pn; Zatean-Pn DHA; Zatean-Pn Plus

> <INTERNATIONAL_BRANDS>
Metafolin

> <SALTS>
Levomefolate calcium; Levomefolate glucosamine; Levomefolate magnesium

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