Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Hormones and synthetic substitutes  /  Pharmaceuticals and Biochemicals  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Organic Intermediate
Propanamide,2-amino-N-[(1S)-1-[5-[(1,1-dimethylethyl)thio]-4-(2-furanylmethyl)-4H-1,2,4-triazol-3-yl]-2-(phenylmethoxy)ethyl]-2-methyl- structure
Propanamide,2-amino-N-[(1S)-1-[5-[(1,1-dimethylethyl)thio]-4-(2-furanylmethyl)-4H-1,2,4-triazol-3-yl]-2-(phenylmethoxy)ethyl]-2-methyl- structure

Propanamide,2-amino-N-[(1S)-1-[5-[(1,1-dimethylethyl)thio]-4-(2-furanylmethyl)-4H-1,2,4-triazol-3-yl]-2-(phenylmethoxy)ethyl]-2-methyl-

Iupac Name:(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS No.:434-03-7
Molecular Weight:312.453
1. Names and Identifiers
1.1 Name
Propanamide,2-amino-N-[(1S)-1-[5-[(1,1-dimethylethyl)thio]-4-(2-furanylmethyl)-4H-1,2,4-triazol-3-yl]-2-(phenylmethoxy)ethyl]-2-methyl-
1.2 CAS No.
434-03-7
1.3 CID
5284557
1.4 Molecular Formula
C27H36N8O5 (isomer)
1.5 Inchi
InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
1.6 InChkey
CHNXZKVNWQUJIB-CEGNMAFCSA-N
1.7 Canonical Smiles
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C
1.8 Isomers Smiles
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C
2. 3D Conformer
3. Properties
3.1 Melting Point
266-273℃
3.2 Vapour
7.59E-10mmHg at 25°C
3.3 Refractive Index
33 ° (C=1, Pyridine)
4. Safety and Handling
4.1 Risk Statements
R40;R48
4.2 Safety Statements
S22;S24/25
4.3 HazardClass
6.1
4.4 Transport
UN 2811
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Carcinogenicity, Category 2

Reproductive toxicity, Category 1A

Reproductive toxicity, Additional category for effects on or via lactation

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H351 Suspected of causing cancer

H360 May damage fertility or the unborn child

H362 May cause harm to breast-fed children

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P263 Avoid contact during pregnancy and while nursing.

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:312.453g/mol
  • Molecular Formula:C27H36N8O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.5
  • Exact Mass:312.209
  • Monoisotopic Mass:312.209
  • Complexity:638
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:6
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACAAAD0SAgAACAAAAAgDI GqBSAAgAAAAgAAAACAEAAEgAABIAAQAAQAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAYAADAAA AA==
7. Similar Structures Products
8. Recommended Suppliers
Global194SuppliersView all >>
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Ethisterone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/11/27
Inquire
  • Products:PharmaceuticaL
  • Tel:86-27-13407111142
  • Email:emily@newrisechem.com
ethisterone 99% CAS NO.434-03-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2020/11/24
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Ethisterone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Ethisterone
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2020/01/07
Inquire
  • Products:MK677, LGD4033 etc Sarms, HGH peptide,Nootropics,Tianeptine sodium, CBD oil, cannabidiol powder,Sildenafil Viagra powder, Tadalafil cialis powder, steroids etc
  • Tel:0086-311-15511698343
  • Email:anny@bsterltd.com
Ethisterone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/g
  • Time: 2021/07/23
Inquire