Cas no 2901-66-8 (Reserpic Acid Methyl Ester)

Reserpic Acid Methyl Ester structure
Reserpic Acid Methyl Ester structure
Product Name:Reserpic Acid Methyl Ester
CAS No:2901-66-8
MF:C23H30N2O5
MW:414.494706630707
CID:257685
PubChem ID:73532
Update Time:2025-04-19

Reserpic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • Reserpic Acid Methyl Ester
    • Methyl reserpate
    • Reserpic Acid Methyl
    • Yohimban-16-carboxylicacid, 18-hydroxy-11,17-dimethoxy-, methyl ester, (3b,16b,17a,18b,20a)-
    • Methyle reserpate
    • Q27289987
    • MDJQWFFIUHUJSB-UQVJXISSSA-N
    • 2901-66-8
    • METHYLRESERPATE
    • NSC 81464
    • RESERPIC ACID METHYL ESTER [MI]
    • EINECS 220-792-3
    • UNII-TIB2VC9239
    • NS00048933
    • TIB2VC9239
    • Methyl reserpinolate
    • 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester
    • AKOS040753030
    • methyl (1R, 15S, 17R, 18R, 19S, 20S)-17-hydroxy-6, 18-dimethoxy-1, 3, 11, 12, 14, 15, 16, 17, 18, 19, 20, 21-dodecahydroyohimban-19-carboxylate
    • Reserpate de methyle
    • Reserpate de methyle [French]
    • methyl (1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate
    • 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester
    • NSC-81464
    • FS-7821
    • Yohimban-16-carboxylic acid, 18-hydroxy-11,17-dimethoxy-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-
    • SCHEMBL13130027
    • Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate
    • 3-.BETA.,20-.ALPHA.-YOHIMBAN-16-.BETA.-CARBOXYLIC ACID, 18-.BETA.-HYDROXY- 11,17-.ALPHA.-DIMETHOXY-, METHYL ESTER
    • CHEBI:141924
    • Reserpic acid, methyl ester
    • Methyl(3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate
    • SMR001560360
    • MLS002694431
    • Methyl reserpate; Methyl reserpinolate; NSC 81464; (3ss,16ss,17a,18ss,20a)-18-Hydroxy-11,17-dimethoxy-yohimban-16-carboxylic Acid Methyl Ester
    • methyl (1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
    • DA-77408
    • G87049
    • Inchi: 1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3/t12-,16+,18-,19-,20+,22+/m1/s1
    • InChI Key: MDJQWFFIUHUJSB-UQVJXISSSA-N
    • SMILES: O(C)[C@H]1[C@@H](C[C@@H]2CN3CCC4C5C=CC(=CC=5NC=4[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC)O

Computed Properties

  • Exact Mass: 414.21500
  • Monoisotopic Mass: 414.215472
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 647
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 84

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2138 (rough estimate)
  • Melting Point: 244.5°C
  • Boiling Point: 533.37°C (rough estimate)
  • Flash Point: 309.3°C
  • Refractive Index: 1.6300 (estimate)
  • PSA: 84.02000
  • LogP: 2.21850

Reserpic Acid Methyl Ester Security Information

  • Hazardous Material transportation number:UN 1544
  • HazardClass:6.1(b)
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:6.1(b)
  • Safety Term:6.1(b)
  • Packing Group:III

Reserpic Acid Methyl Ester Pricemore >>

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