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isocyclosporin A

isocyclosporin A structure

CAS No:
59865-16-6
Formula:
C62H111N11O12
Chemical Name:
isocyclosporin A
Synonyms:
30-ethyl-34-[(Z)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-me thylamino-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1-oxa- 4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone;isocyclosporin A;Cyclo[L-Abu-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-[(3R,4R)-3-hydroxy*-N-methyl-5-[(E)-1-propenyl]-L-Leu-]];L-Valine, N-(3-hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl)-L-(alpha-aminobutyryl)-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-, theta1-1actone, (2S-(2R*,3S*,4S*,6E))-;(2S,3R,4R,6E)-3-Hydroxy-4-Methyl-2-(MethylaMino)-6-octenoyl-(2S)-2-aMinobutanoyl-N-Methylglycyl-N-Methyl-L-leucyl-L-valyl-N-Methyl-L-leucyl-L-alanyl-D-alanyl-N-Methyl-L-leucyl-N-Methyl-L-leucyl-N-Methyl-L-valine (111)-Lactone;[2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine theta1-lactone;IsoCyclosporine;Cyclosporin A Isomer

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Description

White Solid

isocyclosporin A Basic Attributes

Molecular Weight：

1202.62

Exact Mass：

1201.841309

Characteristics

PSA：

276.59000

XLogP3：

3.23

Density：

1.1±0.1 g/cm3

Melting Point：

148-152°C

Boiling Point：

1280.5±65.0 °C at 760 mmHg

Flash Point：

728.2±34.3 °C

Refractive Index：

1.538

Storage Conditions：

-20°C Freezer

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.

Drug Information

MeSH Entry Terms：

isocyclosporin A

isocyclosporin A Use and Manufacturing

Cyclosporin A (C988900) impurity.

Computed Properties

Molecular Weight:1202.6
XLogP3:7.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:15
Exact Mass:1201.84136802
Monoisotopic Mass:1201.84136802
Topological Polar Surface Area:277
Heavy Atom Count:85
Complexity:2310
Undefined Atom Stereocenter Count:12
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Isocyclosporine A

CAS No.: 59865-16-6

Content: 99.00%

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Guide of isocyclosporin A

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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isocyclosporin A

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