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Home> Hot Product Listed P   > Pepstatin
115550-35-1 structure

Pepstatin

CAS No.:115550-35-1
Molecular Weight:362.355563
Molecular Formula:C21H27CLO2 (isomer)
Names and Identifiers
Synonyms

Ccris 3603 Pepstatin (van)

Inchi
InChI=1/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)
Canonical Smiles
CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F
Properties
Melting Point
268-269oC
Vapour
7.45E-14mmHg at 25°C
Refractive Index
1.701
HS Code
29349990
Safety and Handling
Risk Statements
R52/53
Safety Statements
S61
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 115550-35-1 EC: Pepstatin ·ECHA C&L Inventory for CAS: CAS: 115550-35-1 EC: Pepstatin
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

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

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

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:362.355563g/mol
  • Molecular Formula:C21H27CLO2
  • XLogP3-AA:_0.5
  • Exact Mass:362.139033
  • Monoisotopic Mass:362.139033
  • Complexity:636
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:76.6
  • Heavy Atom Count:26
  • 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:1
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