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AG00BF84

Name: Zotarolimus
Brand: Angene Chemical
SKU: AG00BF84

221877-54-9 | Zotarolimus

Chemical structure of Zotarolimus, CAS 221877-54-9

AG00BF84

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CAS Number	221877-54-9
Catalog Number	AG00BF84(AGN-PC-0QYTAX)
Chemical Name	Zotarolimus
IUPAC Name	(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]propan-2-yl]-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
InChI	InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1
InChI Key	CGTADGCBEXYWNE-JUKNQOCSSA-N
MDL Number	MFCD09752954
Molecular Formula	C52H79N5O12
Molecular Weight	966.2100
SMILES	O=C([C@H](OC)[C@@H](/C(C)=C/[C@@H](C)C(C[C@]([H])(OC([C@]1([H])CCCCN12)=O)[C@@H](C[C@@H]3CC[C@@](N4C=NN=N4)([H])[C@H](OC)C3)C)=O)O)[C@@H](C[C@@H](/C=C/C=C/C=C(C)/[C@H](C[C@@]5([H])O[C@](C(C2=O)=O)(O)[C@H](C)CC5)OC)C)C
UNII	H4GXR80IZE
Synonyms	ABT 578, ABT-578, ABT578, zotarilumus, zotarolimus, Zotarolimus, ABT-578, 221877-54-9, UNII-H4GXR80IZE, H4GXR80IZE, CHEMBL219410, ABT 578, A 179578, ABT578, Zotarolimus(ABT-578), Zatarolimus, zotarolimus-abt-578, Zotarolimus [USAN:INN], Zotarolimus (ABT-578), Zotarolimus; ABT-578, SCHEMBL67389, GTPL7974, CHEBI:135897, C52H79N5O12, EX-A2216, BDBM50174276, MFCD09752954, s7091, ZINC169677012, CS-5715, NCGC00386351-01, BC252815, HY-12424, X7264, J-014574, Rapamycin, 42-deoxy-42-(1H-tetrazol-1-yl)-, (42S)-, (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone, Endeavor, cc-709,

Complexity	1890
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	15
Defined Bond Stereocenter Count	4
Exact Mass	965.573g/mol
Formal Charge	0
Heavy Atom Count	69
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	966.227g/mol
Monoisotopic Mass	965.573g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	219A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Related Research Chemicals

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited