7-O-Desmethyl temsirolimus

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H85NO16
Molecular Weight	1016.2605
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=CJDQIEOIQZFHOU-LEYTUHHOSA-N

InChI=1S/C55H85NO16/c1-32-16-12-11-13-17-33(2)42(59)28-40-21-19-38(7)55(67,72-40)50(63)51(64)56-23-15-14-18-41(56)52(65)70-45(29-43(60)34(3)25-37(6)48(62)49(69-10)47(61)36(5)24-32)35(4)26-39-20-22-44(46(27-39)68-9)71-53(66)54(8,30-57)31-58/h11-13,16-17,25,32,34-36,38-42,44-46,48-49,57-59,62,67H,14-15,18-24,26-31H2,1-10H3/b13-11+,16-12-,33-17+,37-25-/t32-,34-,35-,36-,38-,39+,40+,41+,42+,44-,45+,46-,48-,49+,55-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C55H85NO16
Molecular Weight	1016.2605
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 `Wed Apr 02 17:30:20 GMT 2025` Edited by `admin` on `Wed Apr 02 17:30:20 GMT 2025`
Record UNII	TQS2PB5TBM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-O-Desmethyl temsirolimus

Common Name

English

Temsirolimus 7-O-mesmethyl

Preferred Name

English

Rapamycin, 7-O-demethyl-, 42-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate], (7?)-

Systematic Name

English

Code System Code Type Description

CAS

408321-08-4

Created by admin on Wed Apr 02 17:30:20 GMT 2025 , Edited by admin on Wed Apr 02 17:30:20 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

TQS2PB5TBM

Created by admin on Wed Apr 02 17:30:20 GMT 2025 , Edited by admin on Wed Apr 02 17:30:20 GMT 2025

PRIMARY

CAS

2411176-25-3

Created by admin on Wed Apr 02 17:30:20 GMT 2025 , Edited by admin on Wed Apr 02 17:30:20 GMT 2025

PRIMARY