Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Amine  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Basic Organic Chemicals
6,7-Demethylenedeoxypodophyllotoxin structure
6,7-Demethylenedeoxypodophyllotoxin structure

6,7-Demethylenedeoxypodophyllotoxin

Iupac Name:4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride
CAS No.:34552-83-5
Molecular Weight:513.503
1. Names and Identifiers
1.1 Name
6,7-Demethylenedeoxypodophyllotoxin
1.2 CAS No.
34552-83-5
1.3 CID
71420
1.4 Molecular Formula
C14H14N2O5 (isomer)
1.5 Inchi
InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H
1.6 InChkey
PGYPOBZJRVSMDS-UHFFFAOYSA-N
1.7 Canonical Smiles
CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
1.8 Isomers Smiles
CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
2. Properties
3.1 Density
1.36±0.1 g/cm3(Predicted)
3.1 Melting point
223-225°C
3.1 Refractive index
1.6100 (estimate)
3.1 Precise Quality
512.20000
3.1 PSA
43.78000
3.1 logP
5.82790
3. Safety and Handling
4.1 Symbol
GHS06
4.1 Signal Word
Danger
4.1 Risk Statements
R25
4.1 Safety Statements
S45
4.1 Packing Group
III
4.1 Hazard Class
6.1(b)
4.1 Hazard Declaration
H301
4.1 RIDADR
UN 2811
4.1 Caution Statement
P301 + P310
4.1 WGK Germany
3
4.1 RTECS
TM4960000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Uses
6,7-Demethylenedeoxypodophyllotoxin is a metabolite of 4-Deoxypodophyllotoxin (D249500), a medicinal herb product isolated from Anthriscus sylvestris Hoffm. It is well known for its antitumor, antiviral, and anti-inflammatory activities. 4-Deoxypodophyllotoxin was also shown to inhibit the passive cutaneous anaphylaxis reaction.
6. Computational chemical data
  • Molecular Weight:513.503g/mol
  • Molecular Formula:C14H14N2O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:512.1997337
  • Monoisotopic Mass:512.1997337
  • Complexity:623
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.8
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
7. Recommended Suppliers
Global186SuppliersView all >>
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Wholesale high quality Loperamide hydrochloride Cas 34552-83-5 with best purity
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 600 USD/kilogram
  • Time: 2022/05/19
Inquire
  • Products:Organic intermediates, Organic solvents,Cosmetic raw materials ...
  • Tel:00-86-15176962104
  • Email:Alice@hbzebo.com
Hot Selling 99% Purity Loperamide Hydrochloride Loperamide HCl High Quality (CAS 34552-83-5)
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2022/05/19
Inquire
  • Products:5413-05-8 Ethyl 2-phenylacetoacetate; 16648-44-5 BMK powder; 13605-48-6 Pmk glycidate; 79099-07-3 N-BOC-4-piperidone; 49851-31-2 2-bromo-1-phenylpentan-1-one; 288573-56-8
  • Tel:86-27-15927457486
  • Email:Cassie@hanhong-api.com
Loperamide hydrochloride C29H34Cl2N2O2 CAS 34552-83-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 50 USD/kilogram
  • Time: 2022/05/19
Inquire
  • Products:biotechnology pharmaceutical intermediates biotechnology medical intermediates
  • Tel:0086-0311-19930598987
  • Email:zime02@hbzimely.com
high purity Loperamide hydrochloride CAS 34552-83-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/g
  • Time: 2022/05/19
Inquire
  • Products:14680-51-4,79-03-8,23076-35-9,91393-49-6,14176-50-2,2079878-75-2,71368-80-4,119276-01-6,1451-82-7,5413-05-8,79099-07-3,40064-34-4,125541-22-2,288573-56-8,7361-61-7,148553-50-8,94-15-5,94-24-6,
  • Tel:0086-0311-18132034814
  • Email:sales03@hebeiendun.cn
Excellent quality Loperamide hydrochloride CAS:34552-83-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 12 USD/g
  • Time: 2022/05/19
Inquire