Basic information
- CAS
27773-65-5- Standard SMILES
CC[C@@]12C=C(C(=O)O)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42- InChIKey
ZFCQLDAGNBFMJQ-QUCCMNQESA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16812795
Names & identifiers
- Preferred name
- (+)-Apovincaminic acid
- IUPAC
- (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-carboxylic acid
- English name
- (3alpha,16alpha)-eburnamenine-14-carboxylic acid
- Molecular formula
- C20H22N2O2
- Molecular weight
- 322.4
Names & synonyms
Apovincaminic acid27773-65-5(+)-Apovincaminic AcidZD6ZF4C86QRefChem:113500248-651-1(13aS,13bS)-13a-Ethyl-2,3,5,6,13a,13b-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylic Acid(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-carboxylic acidVinpocetine Carboxylic Acidcis-apovincaminic acidVinpocetine Impurity 4Apovincamin-22-oic Acid
Show more names
Vinpocetine-16Apovincamine acidApovinacaminic acid(41S,13aS)-13a-ethyl(+)-cis-ApovincaMinic AVinpocetine Impurity 15Vinpocetine EP Impurity 15
(+)-cis-Apovincaminic Acid(41S,13aS)-13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylic acidApovincamin -22-oic acidUNII-ZD6ZF4C86QCHEMBL252560SCHEMBL1171662Eburnamenine-14-carboxylic acidSCHEMBL30149168
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Melting point
- 126 · 126-129 °C
- Boiling point
- 429.9 · 429.9±45.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.40(Predicted)
- FDA UNII
- 6 ZF4C86Q · ZD6ZF4C86Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesThe main metabolite
Suppliers31 total
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
2 records
Compound notes
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