Products 1965291-08-0

CAS 1965291-08-0 appears in our catalog under these names: Ibrexafungerp citrate, (1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15-[(2R)- 2-amino-2,3,3-trimethylbutoxy]-1,6a,8,10a-tetramethyl-8- [(2R)-3-methylbutan-2-yl]-14-[5-(pyridin-4-yl)-1H-1,2,4- triazol-1-yl]-1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-2H,4H-1,4a-propanophenanthro[1,2-c]pyran-7-carboxylic acid compound with 2-hydroxypropane-1,2,3-tricarboxylic acid, ≥98%, ≥98%, Ibrexafungerp (citrate), 99.38%. Offered by: GLPBio, Chemat, MedChemExpress. Available pack sizes: 1mg, 10mg, 5mg, 5 mg, 10mM/1mL, 25 mg, 100 mg, 10 mg.

Ibrexafungerp citrate
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 1341.24
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(1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15-[(2R)- 2-amino-2,3,3-trimethylbutoxy]-1,6a,8,10a-tetramethyl-8- [(2R)-3-methylbutan-2-yl]-14-[5-(pyridin-4-yl)-1H-1,2,4- triazol-1-yl]-1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-2H,4H-1,4a-propanophenanthro[1,2-c]pyran-7-carboxylic acid compound with 2-hydroxypropane-1,2,3-tricarboxylic acid, ≥98%, ≥98%
Chemat
  • size: 1mg
  • Variants: 1
from 2426.00
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Ibrexafungerp (citrate), 99.38%
MedChemExpress
  • size: 5 mg, 10mM/1mL, 25 mg, 100 mg
  • Variants: 6
from 2855.32
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Structural formula: {0} (CAS {1})

(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (CAS 1965291-08-0) is a chemical compound with the molecular formula C50H75N5O11 and a molecular weight of 922.2 g/mol. IUPAC name: (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid. InChIKey: WKIRTJACGBEXBZ-FQGZCCSZSA-N.

Identity
Molecular formulaC50H75N5O11
Molecular weight922.2 g/mol
IUPAC name(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
InChIKeyWKIRTJACGBEXBZ-FQGZCCSZSA-N
SMILESC[C@H](C(C)C)[C@]1(CC[C@@]2([C@H]3CC[C@H]4[C@]5(COC[C@]4(C3=CC[C@]2([C@@H]1C(=O)O)C)C[C@H]([C@@H]5OC[C@@](C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Computed by PubChem (NCBI)

Synonyms: Ibrexafungerp citrate, brexafemme, Ibrexafungerp citrate [USAN], Ibrexafungerp (citrate), Ibrexafungerp citrate (USAN), Brexafemme (TN), Ibrexafungerp citrate?, orb1739451, IBREXAFUNGERP CITRATE [WHO-DD], IBREXAFUNGERP CITRATE [ORANGE BOOK]