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Cyclosporin B

Cyclosporin B structure

CAS No:
63775-95-1
Formula:
C61H109N11O12
Chemical Name:
Cyclosporin B
Synonyms:
CYCLOSPORIN B;Ala2-cyclosporine;Antibiotic S 7481F2;Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alanyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl];(3R,4R)-3-Hydroxy-N-methyl-5-[(E)-1-propenyl]cyclo(L-Leu-L-Ala-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-);Cyclosporine IMpurity-B;7-L-Alaninecyclosporine A;Cyclosporin B (9CI)
Categories:
Specialty Chemicals

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Description

Amorphous White Solid

Cyclosporin B Basic Attributes

Molecular Weight：

1188.58

Exact Mass：

1187.825684

UNII：

8PZQ1RZS5A

Characteristics

PSA：

278.80000

XLogP3：

2.82

Density：

1.0±0.1 g/cm3

Melting Point：

149-152°C

Boiling Point：

1289.7±65.0 °C at 760 mmHg

Flash Point：

733.8±34.3 °C

Refractive Index：

1.468

Storage Conditions：

-20°C Freezer

Specific rotation：

D20 -238° (c = 0.62 in chloroform); D20 -168° (c = 0.56 in methanol)

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P263, P264, P270, P281, P301+P312, P308+P313, P330, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Cyclosporin B Use and Manufacturing

Cyclosporin B is a minor analogue of the cyclosporin complex produced by a number of different fungal genera including Trichoderma, Tolypocladium, Fusarium, Nectria and Acremonium. Cyclosporin B possesses immunosuppressant and antifungal activities but has been much less extensively investigated than the major analogue, cyclosporin A.

Computed Properties

Molecular Weight:1188.6
XLogP3:7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:14
Exact Mass:1187.82571795
Monoisotopic Mass:1187.82571795
Topological Polar Surface Area:279
Heavy Atom Count:84
Complexity:2310
Defined Atom Stereocenter Count:12
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Cyclosporin B

CAS No.: 63775-95-1

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