7-O-DEMETHYL-42-O-(2-HYDROXYETHYL)RAPAMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H81NO14
Molecular Weight	944.1978
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-O-DEMETHYL-42-O-(2-HYDROXYETHYL)RAPAMYCIN

Structure Search

SMILES

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

InChI

InChIKey=IENBGEQGDJTPQU-GIZKHTGYSA-N

InChI=1S/C52H81NO14/c1-31-15-11-10-12-16-32(2)41(55)29-39-20-18-37(7)52(62,67-39)49(59)50(60)53-22-14-13-17-40(53)51(61)66-44(34(4)27-38-19-21-43(65-24-23-54)45(28-38)63-8)30-42(56)33(3)26-36(6)47(58)48(64-9)46(57)35(5)25-31/h10-12,15-16,26,31,33-35,37-41,43-45,47-48,54-55,58,62H,13-14,17-25,27-30H2,1-9H3/b12-10+,15-11+,32-16+,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43-,44+,45-,47-,48+,52-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C52H81NO14
Molecular Weight	944.1978
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 09:15:17 GMT 2023` Edited by `admin` on `Sat Dec 16 09:15:17 GMT 2023`
Record UNII	ECI6WI7P2Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-O-DEMETHYL-42-O-(2-HYDROXYETHYL)RAPAMYCIN

Common Name

English

16-O-DEMETHYL-SDZ RAD

Common Name

English

16-O-DEMETHYL-EVEROLIMUS

Common Name

English

RAPAMYCIN, 7-O-DEMETHYL-42-O-(2-HYDROXYETHYL)-

Common Name

English

EVEROLIMUS 30-O-DESMETHYL IMPURITY

Common Name

English

O-DESMETHYL EVEROLIMUS

Common Name

English

Code System Code Type Description

PUBCHEM

9854474

Created by admin on Sat Dec 16 09:15:17 GMT 2023 , Edited by admin on Sat Dec 16 09:15:17 GMT 2023

PRIMARY

EPA CompTox

DTXSID90861425

Created by admin on Sat Dec 16 09:15:17 GMT 2023 , Edited by admin on Sat Dec 16 09:15:17 GMT 2023

PRIMARY

FDA UNII

ECI6WI7P2Q

Created by admin on Sat Dec 16 09:15:17 GMT 2023 , Edited by admin on Sat Dec 16 09:15:17 GMT 2023

PRIMARY

CAS

745779-75-3

Created by admin on Sat Dec 16 09:15:17 GMT 2023 , Edited by admin on Sat Dec 16 09:15:17 GMT 2023

PRIMARY

Related Record Type Details


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EVEROLIMUS

PARENT -> METABOLITE

Amount: