Umirolimus

CAT: 0543-U008-1MGSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0543-U008-1MGSize:1 mg

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CAS Number

851536-75-9

Applications

Microbiology.

Purity

>95% by HPLC

Molecular Formula

C55H87NO14

Molecular Weight

986.3

Shipping Conditions

Ambient

Storage Conditions

-20°C

Chemical Information

Biolimus A9

sirolimus derivative from a biodegradable polylactic acid polymer; possesses enhanced anti-inflammatory and antiproliferative activity with an improved pharmacokinetic profile; structure in first source

CAS Number	851536-75-9
PubChem CID	11158972
IUPAC Name	(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-(2-ethoxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Molecular Formula	C55H87NO14
Molecular Weight	986.3
XLogP	6.8
Topological Polar Surface Area	194
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	11
Heavy Atom Count	70
Formal Charge	0
Complexity	1840

SMILES

CCOCCO[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]2CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)OC)\C)C)C)OC)O)\C)C

InChI

InChI=1S/C55H87NO14/c1-12-67-26-27-68-45-24-22-41(31-48(45)65-10)30-37(5)47-33-44(57)36(4)29-39(7)50(59)51(66-11)49(58)38(6)28-34(2)18-14-13-15-19-35(3)46(64-9)32-42-23-21-40(8)55(63,70-42)52(60)53(61)56-25-17-16-20-43(56)54(62)69-47/h13-15,18-19,29,34,36-38,40-43,45-48,50-51,59,63H,12,16-17,20-28,30-33H2,1-11H3/b15-13+,18-14+,35-19+,39-29+/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,50-,51+,55-/m1/s1

InChIKey

YYSFXUWWPNHNAZ-PKJQJFMNSA-N

Chemical Structure

2D Structure

CAS: 851536-75-9

CID: 11158972

Formula: C55H87NO14

MW: 986.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	986.3
XLogP3	6.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	11
Exact Mass	985.61265645
Monoisotopic Mass	985.61265645
Topological Polar Surface Area	194 Å²
Heavy Atom Count	70
Formal Charge	0
Complexity	1840
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA1298-25	Umirolimus
HY-122402S	Umirolimus-d5

Umirolimus

Chemical Information

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