TACROLIMUS ANHYDROUS

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H69NO12
Molecular Weight	804.0182
Optical Activity	( - )
Defined Stereocenters	14 / 14
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TACROLIMUS ANHYDROUS

Structure Search

SMILES

[H][C@]1(CC[C@@H](O)[C@@H](C1)OC)\C=C(/C)[C@@]2([H])OC(=O)[C@]3([H])CCCCN3C(=O)C(=O)[C@]4(O)O[C@@]([H])([C@H](C[C@H]4C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC

InChI

InChIKey=QJJXYPPXXYFBGM-LFZNUXCKSA-N

InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H69NO12
Molecular Weight	804.0182
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 15:45:19 UTC 2023` Edited by `admin` on `Fri Dec 15 15:45:19 UTC 2023`
Record UNII	Y5L2157C4J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TACROLIMUS ANHYDROUS

Common Name

English

(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-

Systematic Name

English

tacrolimus [INN]

Common Name

English

TSUKUBAENOLIDE

Common Name

English

PROGRAPH

Common Name

English

FUJIMYCIN

Common Name

English

TACROLIMUS [MART.]

Common Name

English

TACROLIMUS, ANHYDROUS

Common Name

English

Tacrolimus [WHO-DD]

Common Name

English

TACRO

Common Name

English

15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-t

Systematic Name

English

TACROLIMUS [MI]

Common Name

English

ANHYDROUS TACROLIMUS

Common Name

English

Classification Tree Code System Code

WHO-ATC

L04AD02

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

NDF-RT

N0000175458

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

NCI_THESAURUS

C146638

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

NDF-RT

N0000175457

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

WHO-ATC

D11AH01

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

CFR

21 CFR 862.1678

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

Code System Code Type Description

DRUG BANK

DB00864

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

PRIMARY

EVMPD

SUB21717

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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HSDB

8195

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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EVMPD

SUB10797MIG

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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RXCUI

235991

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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RxNorm

PUBCHEM

445643

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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FDA UNII

Y5L2157C4J

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

PRIMARY

SMS_ID

100000089172

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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CAS

104987-11-3

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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NCI_THESAURUS

C76066

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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INN

6878

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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CHEBI

61049

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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DAILYMED

Y5L2157C4J

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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EPA CompTox

DTXSID5046354

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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MERCK INDEX

m10425

Created by admin on Fri Dec 15 15:45:19 UTC 2023 , Edited by admin on Fri Dec 15 15:45:19 UTC 2023

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Merck Index

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