35-HYDROXYL TEMSIROLIMUS

Details

Stereochemistry	EPIMERIC
Molecular Formula	C56H87NO17
Molecular Weight	1046.2865
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 16
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(O)[C@H](C)\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=KQIFNDFOEYDKSI-FBQKAEJRSA-N

InChI=1S/C56H87NO17/c1-32-17-13-12-14-18-33(2)47(61)38(7)49(63)50(71-11)48(62)36(5)25-34(3)42(60)29-45(35(4)26-39-21-23-43(46(27-39)70-10)73-54(67)55(8,30-58)31-59)72-53(66)41-19-15-16-24-57(41)52(65)51(64)56(68)37(6)20-22-40(74-56)28-44(32)69-9/h12-14,17-18,25,33-35,37-41,43-48,50,58-59,61-62,68H,15-16,19-24,26-31H2,1-11H3/b13-12+,18-14+,32-17+,36-25+/t33-,34-,35-,37-,38-,39+,40+,41+,43-,44+,45+,46-,47?,48-,50-,56-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C56H87NO17
Molecular Weight	1046.2865
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	15 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:10:48 UTC 2023` Edited by `admin` on `Sat Dec 16 15:10:48 UTC 2023`
Record UNII	7D8AE6F258
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

35-HYDROXYL TEMSIROLIMUS

Common Name

English

RAPAMYCIN, 35-HYDROXY-, 42-(3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPANOATE)

Systematic Name

English

TEMSIROLIMUS METABOLITE M9

Common Name

English

Code System Code Type Description

PUBCHEM

25031265

Created by admin on Sat Dec 16 15:10:48 UTC 2023 , Edited by admin on Sat Dec 16 15:10:48 UTC 2023

PRIMARY

CAS

876060-66-1

Created by admin on Sat Dec 16 15:10:48 UTC 2023 , Edited by admin on Sat Dec 16 15:10:48 UTC 2023

PRIMARY

FDA UNII

7D8AE6F258

Created by admin on Sat Dec 16 15:10:48 UTC 2023 , Edited by admin on Sat Dec 16 15:10:48 UTC 2023

PRIMARY

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TEMSIROLIMUS

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