Apovincamine

HCID 71204CAS 4880-92-6

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Basic information

Standard SMILES: CC[C@@]12C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42
InChIKey: OZDNDGXASTWERN-CTNGQTDRSA-N
Molecular formula: C21H24N2O2
Average molar mass: 336.4 g/mol
Monoisotopic mass: 336.18377801

Names & identifiers

Preferred name: Apovincamine
IUPAC: methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
English name: apovincamine
Molecular formula: C21H24N2O2
Molecular weight: 336.43

Names & synonyms

Apovincamine4880-92-6cis-ApovincamineApovincaminamethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate504R182ZX7methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo(9.6.2.02,7.08,18.015,19)nonadeca-2,4,6,8(18),16-pentaene-17-carboxylateRefChem:113499225-491-0Apovincamine [INN]Apovincaminum [Latin]Apovincamina [Spanish]

Show more names

Vinpocetine-2Unii-504R182zx7(+)-trans-CavintonVincamine Impurity D

Vinpocetine EP Impurity BEINECS 225-491-0ApovincaminumMethyl (3alpha,16alpha)-eburnamenine-14-carboxylate(3|A,16|A)-Eburnamenine-14-carboxylic Acid Methyl Ester(+)-apovincamineEburnamenine-14-carboxylic acid, methyl ester, (3.alpha.,16.alpha.)-methyl(3a,16a)-eburnamenine-14-carboxylate

Database identifiers

CAS: 4880-92-6
PubChem CID: 71204
DTXSID: DTXSID401023598
ChEMBL: CHEMBL1163488
ChEBI: CHEBI:2787
UNII: 504R182ZX7
EC Number: 225-491-0
Nikkaji: J8.835H

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 34.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 603

Physicochemical properties

Melting point: 160 · 160-162℃
Boiling point: 405.7 · 405.7±45.0 °C(Predicted)
Density: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 7.82 · 7.82±0.60(Predicted)
color: Off-White to Pale Grey
EWG's Food Scores: 1 · 1
FDA UNII: 504 R182ZX7 · 504R182ZX7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501
HS Code: 2939800000 · 2939800000

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2939800000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Usescis-Apovincamine (Vinpocetine USP Related Compound B), is a vinca alkaloid and a chemical precursor of Vinpocetine (V332500), a derivative of Vincamine with vasodilating activity. Vasodilator (cerebral).