Hernandezine | CAS No. 6681-13-6

Hernandezine

Basic Information

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CAS Number

6681-13-6

Molecular Formula

C39H46N2O7

Molecular Weight

654.79 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

192-193 ºC

Density

1.175±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (2.2E-4 g/L) (25 ºC),

SMILES

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CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC

InChI

InChI=1S/C39H46N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,21-22,29-30,33H,14-20H2,1-7H3/t29-,30-,33?/m0/s1

InChIKey

RHBINYMKWOYPNF-BVKSZRQYSA-N

LogP

6.825500000000007

Topological Polar Surface Area

71.09000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 9

Complexity

1030

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

UNII-HPH24MXX7G
Berbaman, 5,6,6',7,12-pentamethoxy-2,2'-dimethyl-, (1.beta.)-
pentamethoxy(dimethyl)[?]
NSC626650
(4AS,16AS)-3,4,4A,5,16A,17,18,19-OCTAHYDRO-12,20,21,22,26-PENTAMETHOXY-4,17-DIMETHYL-16H-1,24:6,9-DIETHENO-11,15-METHENO-2H-PYRIDO(2',3':17,18)(1,11)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE
CS-0032227
Berbaman, 5,6,6',7,12-pentamethoxy-2,2'-dimethyl-, (1beta)-
SR-05000002295-2
CCG-208358
6681-13-6
HY-N6042
HPH24MXX7G
(+)-Hernandezine
MS-30976
CHEBI:5677
SR-05000002295
CHEMBL504936
DTXSID40216926
SCHEMBL16254179
(1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene
Hernandezine
E80602
Thalicsimine
AKOS015969728
16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-, (4aS,16aS)-
Q15410998
BDBM50201796
Thaliximine
C09461
Bio-0629
(1

MDL Number

MFCD00274485

FAQ

What is Hernandezine (CAS: 6681-13-6)?

Hernandezine (CAS: 6681-13-6) is a synthetic organic compound with the molecular formula C13H11N3. It is characterized by its unique chemical structure and is primarily used in pharmaceutical applications for its analgesic properties.

What are the main uses of Hernandezine (CAS: 6681-13-6)?

Hernandezine (CAS: 6681-13-6) is mainly used in pharmaceuticals as an analgesic agent to treat pain. It is also used in some experimental and research settings for studying pain mechanisms and developing new analgesic drugs.

Is Hernandezine (CAS: 6681-13-6) safe?

Hernandezine (CAS: 6681-13-6) is generally considered safe when used under medical supervision. However, it should be handled with caution and stored out of reach of children. It is important to follow safety guidelines and protective measures to prevent adverse effects.

How should Hernandezine (CAS: 6681-13-6) be stored?

Hernandezine (CAS: 6681-13-6) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and light exposure. Storage at room temperature is recommended to maintain its stability and effectiveness.