PIMECROLIMUS

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H68ClNO11
Molecular Weight	810.453
Optical Activity	( - )
Defined Stereocenters	14 / 14
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PIMECROLIMUS

Structure Search

SMILES

[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@]([H])([C@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]4CC[C@H](Cl)[C@@H](C4)OC

InChI

InChIKey=KASDHRXLYQOAKZ-XDSKOBMDSA-N

InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H68ClNO11
Molecular Weight	810.453
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:55:37 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:37 UTC 2023`
Record UNII	7KYV510875
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIMECROLIMUS

Official Name

English

ELIDEL

Brand Name

English

PIMECROLIMUS [MI]

Common Name

English

PIMECROLIMUS [JAN]

Common Name

English

pimecrolimus [INN]

Common Name

English

PIMECROLIMUS [ORANGE BOOK]

Common Name

English

PIMECROLIMUS [MART.]

Common Name

English

Pimecrolimus [WHO-DD]

Common Name

English

(-)-PIMECROLIMUS

Common Name

English

PIMECROLIMUS [USAN]

Common Name

English

SDZ-ASM-981

Code

English

PIMECROLIMUS [VANDF]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C146638

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

NDF-RT

N0000175458

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

WHO-VATC

QD11AH02

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

NDF-RT

N0000175457

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

WHO-ATC

D11AH02

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

Code System Code Type Description

INN

7632

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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LACTMED

Pimecrolimus

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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FDA UNII

7KYV510875

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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RXCUI

321952

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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RxNorm

EPA CompTox

DTXSID2046674

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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EVMPD

SUB16457MIG

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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SMS_ID

100000091732

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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DRUG CENTRAL

2168

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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CAS

137071-32-0

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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ChEMBL

CHEMBL1200686

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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PUBCHEM

6509979

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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DAILYMED

7KYV510875

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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WIKIPEDIA

PIMECROLIMUS

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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USAN

MM-12

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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MERCK INDEX

m8811

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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Merck Index

NCI_THESAURUS

C47671

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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DRUG BANK

DB00337

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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MESH

C117268

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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IUPHAR

6783

Created by admin on Fri Dec 15 15:55:37 UTC 2023 , Edited by admin on Fri Dec 15 15:55:37 UTC 2023

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Related Record Type Details


					89GTE436P6

PIMECROLIMUS HYDRATE

SOLVATE->ANHYDROUS


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					RYF5TU3245

PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP1A

TARGET -> INHIBITOR

Amount:


					89GTE436P6

PIMECROLIMUS HYDRATE

SALT/SOLVATE -> PARENT

Amount:


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

Amount:


					7KYV510875

EXCRETED UNCHANGED

Comments:

Based on the results of the aforementioned radiolabeled study, following a single oral dose of pimecrolimus ~81% of the administered radioactivity was recovered, primarily in the feces (78.4%) as metabolites. Less than 1% of the radioactivity found in the feces was due to unchanged pimecrolimus.

Qualification:

FECAL

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:

Related Record Type Details


					7KYV510875

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC