1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3aS,8bR)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate;(2R,3R)-2,3-dihydroxybutanedioic acid

2.1.2 InChI

InChI=1S/C20H23N3O2.C4H6O6/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14;5-1(3(7)8)2(6)4(9)10/h4-10,13,18H,11-12H2,1-3H3,(H,21,24);1-2,5-6H,(H,7,8)(H,9,10)/t18-,20+;1-,2-/m01/s1

2.1.3 InChI Key

XKKPTCVQEJZDGT-WXJUTALTSA-N

2.1.4 Canonical SMILES

CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

C[C@]12CCN([C@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

G18HAS9LKM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Posiphen Tartrate

2. Buntanetap Tartrate

3. R-phenserine Tartrate

4. G18has9lkm

5. Buntanetap Tartrate [usan]

6. 865795-23-9

7. Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, Phenylcarbamate (ester), (3ar,8as)-, (2r,3r)-2,3-dihydroxybutanedioate (1:1) (salt)

8. Unii-g18has9lkm

2.4 Create Date

2018-11-11

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₉N₃O₈
Molecular Weight	487.5 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	160
Heavy Atom Count	35
Formal Charge	0
Complexity	641
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Technical details about Posiphen tartrate, learn more about the structure, uses, toxicity, action, side effects and more

Posiphen Tartrate

Posiphen tartrate

ACCESS ALL DATA

Browse all information

CHEMISTRY

Discover Molecule Insights

DEVELOPMENTS

1 Drugs in Development

Filters