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Home> Hot Product Listed T   > Trichosporin B VIa(9CI)
66357-35-5 structure

Trichosporin B VIa(9CI)

Iupac Name:(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
CAS No.:66357-35-5
Molecular Weight:314.404
Molecular Formula:C12H22CLN (isomer)
Names and Identifiers
Synonyms

AlamethicinI, 2-L-alanine-6-(2-methylalanine)-9-L-isoleucine-18-L-glutamine- L-Glutamamide,N-acetyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-2-methylalanyl-2-methylalanyl-L-glutaminyl-2-methylalanyl-L-isoleucyl-2-methylalanylglycyl-L-leucyl-2-methylalanyl-L-prolyl-L-valyl-2-methylalanyl-2-methylalanyl-L-glutaminyl-N1-[1-(hydroxymethyl)-2-phenylethyl]-,(S)- trichosporin B-VIa

Inchi
InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
InChkey
VMXUWOKSQNHOCA-UKTHLTGXSA-N
Canonical Smiles
CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C
Isomers Smiles
CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C.Cl
Properties
Melting Point
69-70℃
Boiling Point
428.3°Cat760mmHg
Refractive Index
1.558
Flash Point
492.3°C
Safety and Handling
Safety Statements
S22;S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
QUIMICA SINTETICA, S.A. 2017
UNION QUIMICO FARMACÉUTICA S.A. 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:314.404g/mol
  • Molecular Formula:C12H22CLN
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.3
  • Exact Mass:314.141
  • Monoisotopic Mass:314.141
  • Complexity:347
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:112A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzsABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAHgQUAAAACATF0ASzBIPQREiJ AKBWQwCCCAAkIhAIiIGODMiOJjKktTuHGSjs0BM4qYeYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-22-58951207
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
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