Cas no 483-09-0 (Isorauhimbin)

Isorauhimbin structure
Isorauhimbin structure
Product Name:Isorauhimbin
CAS No:483-09-0
MF:C21H26N2O3
MW:354.442745685577
CID:329529
PubChem ID:6452110
Update Time:2025-11-06

Isorauhimbin Chemical and Physical Properties

Names and Identifiers

    • 3-Epiisoyohimbine
    • Isorauhimbine
    • methyl (1R,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
    • 3-Epi-α-yohimbine
    • [ "3-Epi-α-yohimbine" ]
    • beta-Yohimbine
    • NSC407306
    • Amsonin
    • Corynanthin
    • Amsonine
    • Rauhimbin
    • beta-Yohimbin
    • Isorauhimbin
    • .beta.-Yohimbine
    • COYNANTHINE
    • NSC19509
    • MLS000863574
    • Methyl 17-hydroxy-20xi-yohimban-16-carboxylate
    • SCHEMBL20139010
    • Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (3beta,16beta,17alpha,20alpha)-
    • 3-epi-alpha-Yohimbine
    • 483-09-0
    • CHEMBL465600
    • AKOS032962168
    • FS-9923
    • 3-Epirauwolscine; 3-epi-Rauwolscine
    • DA-49587
    • 3-epi-a-Yohimbine; Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic Acid deriv.; 3-Epicorynanthidine; 3-Epirauwolscine; epi-3a-Yohimbine
    • METHYL (1R,15S,18S,19S,20S)-18-HYDROXY-3,13-DIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4,6,8-TETRAENE-19-CARBOXYLATE
    • 3-epi-a-Yohimbine
    • Inchi: 1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17-,18+,19+/m1/s1
    • InChI Key: BLGXFZZNTVWLAY-RIEHRDFOSA-N
    • SMILES: O[C@H]1CC[C@@H]2CN3CCC4C5C=CC=CC=5NC=4[C@H]3C[C@@H]2[C@@H]1C(=O)OC

Computed Properties

  • Exact Mass: 354.19400
  • Monoisotopic Mass: 354.19434270g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 555
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 65.6

Experimental Properties

  • Color/Form: Powder
  • PSA: 65.56000
  • LogP: 2.58500

Isorauhimbin Security Information

  • Storage Condition:Store at room temperature, 2-8 ℃ is better

Isorauhimbin Pricemore >>

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