EVEROLIMUS ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H85NO15
Molecular Weight	976.2397
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]2(C[C@H](OC)C(\C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(\C)=C\[C@@H](C)C(=O)C[C@H](O)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC)CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(O)=O

InChI

InChIKey=CKQDLIBRKRCTPR-DKBZHAOTSA-N

InChI=1S/C53H85NO15/c1-32(16-12-11-13-17-33(2)45(65-8)30-40-21-19-38(7)53(64,69-40)50(60)51(61)54-23-15-14-18-41(54)52(62)63)26-36(5)47(58)49(67-10)48(59)37(6)27-34(3)42(56)31-43(57)35(4)28-39-20-22-44(68-25-24-55)46(29-39)66-9/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,57,59,64H,14-15,18-26,28-31H2,1-10H3,(H,62,63)/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43+,44-,45+,46-,48-,49+,53-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C53H85NO15
Molecular Weight	976.2397
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:15:16 UTC 2023` Edited by `admin` on `Sat Dec 16 09:15:16 UTC 2023`
Record UNII	QKH7MLE47U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EVEROLIMUS ACID

Common Name

English

2-PIPERIDINECARBOXYLIC ACID, 1-(2-((2R,3R,6S)-6-((2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,20S,21R)-14,20-DIHYDROXY-22-((1S,3R,4R)-4-(2-HYDROXYETHOXY)-3-METHOXYCYCLOHEXYL)-2,13-DIMETHOXY-3,9,11,15,17,21-HEXAMETHYL-12,18-DIOXO-3,5,7,15-DOCOSATETRAEN-1-YL)TETRAH

Systematic Name

English

EVEROLIMUS (RING-OPENED ACID)

Common Name

English

Code System Code Type Description

CAS

220127-30-0

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

PRIMARY

PUBCHEM

155487441

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

PRIMARY

PUBCHEM

FDA UNII

QKH7MLE47U

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

PRIMARY

Related Record Type Details


					9HW64Q8G6G

EVEROLIMUS

PARENT -> METABOLITE

Qualification:

PLASMA

Amount: