36-HYDROXYL TEMSIROLIMUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H87NO17
Molecular Weight	1046.2865
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@](C)(O)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]4CC[C@@H](OC(=O)C(C)(CO)CO)[C@@H](C4)OC

InChI

InChIKey=JKULHACLUIREPW-WNZIFQITSA-N

InChI=1S/C56H87NO17/c1-33-17-13-12-15-23-55(8,67)30-37(5)48(62)49(71-11)47(61)36(4)25-34(2)42(60)29-45(35(3)26-39-20-22-43(46(27-39)70-10)73-53(66)54(7,31-58)32-59)72-52(65)41-18-14-16-24-57(41)51(64)50(63)56(68)38(6)19-21-40(74-56)28-44(33)69-9/h12-13,15,17,23,25,34-35,37-41,43-47,49,58-59,61,67-68H,14,16,18-22,24,26-32H2,1-11H3/b13-12+,23-15+,33-17+,36-25+/t34-,35-,37-,38-,39+,40+,41+,43-,44+,45+,46-,47-,49-,55+,56-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C56H87NO17
Molecular Weight	1046.2865
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:10:47 GMT 2023` Edited by `admin` on `Sat Dec 16 15:10:47 GMT 2023`
Record UNII	CJ53D4I5U1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

36-HYDROXYL TEMSIROLIMUS

Common Name

English

TEMSIROLIMUS METABOLITE M8

Common Name

English

RAPAMYCIN, 36-HYDROXY-, 42-(3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPANOATE)

Systematic Name

English

Code System Code Type Description

FDA UNII

CJ53D4I5U1

Created by admin on Sat Dec 16 15:10:47 GMT 2023 , Edited by admin on Sat Dec 16 15:10:47 GMT 2023

PRIMARY

CAS

876060-65-0

Created by admin on Sat Dec 16 15:10:47 GMT 2023 , Edited by admin on Sat Dec 16 15:10:47 GMT 2023

PRIMARY

PUBCHEM

139593518

Created by admin on Sat Dec 16 15:10:47 GMT 2023 , Edited by admin on Sat Dec 16 15:10:47 GMT 2023

PRIMARY

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TEMSIROLIMUS

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