Cas no 29347-10-2 ((+)-Physostigmine)

(+)-Physostigmine structure
(+)-Physostigmine structure
Product Name:(+)-Physostigmine
CAS No:29347-10-2
MF:C15H21N3O2
MW:275.346143484116
CID:261388
PubChem ID:667498
Update Time:2024-03-01

(+)-Physostigmine Chemical and Physical Properties

Names and Identifiers

    • Pyrrolo[2,3-b]indol-5-ol,1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aR,8aS)-
    • (+)-Physostigmine
    • 4a,12a-Physostigmine (8CI)
    • Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-,methylcarbamate (ester), (3aR,8aS)- (9CI)
    • Pyrrolo[2,3-b]indol-5-ol,1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aR-cis)-
    • Eserin; Physostigmine
    • 4a,12a-Physostigmine
    • Oprea1_278000
    • Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aR-cis)-
    • (3aR,8aS)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate
    • 4a,12a-Physostigmine (8CI); Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aR,8aS)-
    • (3ar,8as)-1,3a,8-trimethyl-1h,
    • Inchi: 1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m0/s1
    • InChI Key: PIJVFDBKTWXHHD-DZGCQCFKSA-N
    • SMILES: O(C(NC)=O)C1C=CC2=C(C=1)[C@@]1(C)CCN(C)[C@H]1N2C

Computed Properties

  • Exact Mass: 275.16337692g/mol
  • Monoisotopic Mass: 275.16337692g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 403
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 44.8

(+)-Physostigmine Related Literature

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