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Pimecrolimus

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Pimecrolimus / CAS : 137071-32-0

Appearance White crystalline powder UN 0.0
HS 3004909099 DG Class 0.0
Synonyms Elidel,Sdz-Asm-981; 33-Epi-33-Chloro-Fr 520; 33-Epi-Chloro-33-Desoxy-Ascomycin; 15,19-Epoxy-3H-Pyrido(2,1-C)(1,4)Oxaazacyclotricosine-1,7,20,21(4H,23H)-Tetrone, 3-((1E)-2-((1R,3R,4S)-4-Chloro-3-Methoxycyclohexyl)-1-Methylethenyl)-8-Ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26A-Hexadecahydro-5,19-Dihydroxy-14,16-Dimethoxy-4,10,12,18-Tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26As)-; 15,19-Epoxy-3H-Pyrido(2,1-C)(1,4)Oxaazacyclotricosine-1,7,20,21(4H,23H)-Tetrone, 3-(2-(4-Chloro-3-Methoxycyclohexyl)-1-Methylethenyl)-8-Ethyl-, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26A-Hexadecahydro-5,19-Dihydroxy-14,16-
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TT in Adv &
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Properties

Summary

Formula
C43H68ClNO11
Molecular Mass
810.45300
Exact Mass
809.44800
PSA
158.13000
Logp
5.65730
IUPAC
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
SMILES
CC[CH]1/C=C(/C[CH](C[CH]([CH]2[CH](C[CH]([C](O2)(C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH]([CH]([CH](CC1=O)O)C)/C(=C/[CH]4CC[CH]([CH](C4)OC)Cl)/C)O)C)OC)OC)C)\C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Inhibitors

Chemical and Physical Properties

Melting Point
135-136 °C
Density
1.19
Boiling Point
866.1ºC at 760 mmHg###866.1±75.0 °C(Predicted)
Flash Point
477.6ºC
Appearance
White crystalline powder

Export information

HS Code
3004909099
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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