Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Pharmaceuticals and Biochemicals  /  Pharmaceutical  /  Organic Intermediate  /  Organic Intermediates
10-Oxohydromorphone structure
10-Oxohydromorphone structure

10-Oxohydromorphone

Iupac Name:(E)-but-2-enedioic acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
CAS No.:43229-80-7
Molecular Weight:460.47700
1. Names and Identifiers
1.1 Name
10-Oxohydromorphone
1.2 CAS No.
43229-80-7
1.3 CID
9832292
1.4 Inchi
InChI=1S/2C19H24N2O4.C4H4O4/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*13-,19+;/m00./s1
1.5 InChkey
OBRNDARFFFHCGE-PERKLWIXSA-N
1.6 Canonical Smiles
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=CC(=O)O)C(=O)O
1.7 Isomers Smiles
C[C@@H](CC1=CC=C(C=C1)OC)NC[C@H](C2=CC(=C(C=C2)O)NC=O)O.C[C@@H](CC1=CC=C(C=C1)OC)NC[C@H](C2=CC(=C(C=C2)O)NC=O)O.C(=C/C(=O)O)\C(=O)O
2. Properties
3.1 Melting point
138-140ºC
3.1 Precise Quality
460.18500
3.1 PSA
165.42000
3.1 logP
3.03490
3. Safety and Handling
4.1 Safety Statements
S36/37
4.1 Packing Group
II
4.1 Hazard Class
6.1(b)
4.1 RIDADR
UN 3249
4.1 RTECS
LQ2988000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

Reproductive toxicity, Category 2

Specific target organ toxicity \u2013 single exposure, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

H370 Causes damage to organs

H373 May cause damage to organs through prolonged or repeated exposure

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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.

P273 Avoid release to the environment.

Response

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

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

P330 Rinse mouth.

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

P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/...

P314 Get medical advice/attention if you feel unwell.

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
10-oxohydromophone is an impurity of Hydrocodone (H714610), an analgesic and antitussive agent.
6. Computational chemical data
  • Molecular Weight:460.47700g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:804.35817311
  • Monoisotopic Mass:804.35817311
  • Complexity:507
  • Rotatable Bond Count:18
  • Hydrogen Bond Donor Count:10
  • Hydrogen Bond Acceptor Count:14
  • Topological Polar Surface Area:256
  • Heavy Atom Count:58
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
7. Recommended Suppliers
Global173SuppliersView all >>
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Formoterol fumarateCAS NO.: 43229-80-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 5600 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Cangzhou Enke Pharma-tech Co.,Ltd (China) is a leading manufacturer of innovative chemistry products and services throughout the pharmaceutical R&D process and commercial production.
  • Tel:0086-317-5296180
  • Email:sale@enkepharma.com
Formoterol fumarate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 111 USD/kilogram
  • Time: 2022/04/29
Inquire
  • Products:chemical raw materials, veterinary drug raw materials, animal and plant extracts, pharmaceutical excipients, pharmaceutical products, food additives
  • Tel:86-182-37818276
  • Email:hnkanbeichemical@126.com
Formoterol Fumarate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/27
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
High purity Formoterol fumarate Cas43229-80-7 with fast delivery
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 77 USD/gram
  • Time: 2022/05/20
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Formoterol Fumarate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/02/09
Inquire