TACROLIMUS IMPURITY H

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H69NO11
Molecular Weight	776.0081
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(=O)[C@@H]1CCCCN1C=O)C(\C)=C\[C@@H]2CC[C@@H](O)[C@@H](C2)OC)[C@H]3OC(=O)[C@H](C)C[C@@H]3OC

InChI

InChIKey=LUBLZMAEBCCRLW-HTLAODBJSA-N

InChI=1S/C43H69NO11/c1-10-13-32(19-26(2)18-27(3)20-38(52-8)41-39(53-9)22-29(5)42(49)55-41)36(48)24-35(47)30(6)40(54-43(50)33-14-11-12-17-44(33)25-45)28(4)21-31-15-16-34(46)37(23-31)51-7/h10,19,21,25,27,29-35,37-41,46-47H,1,11-18,20,22-24H2,2-9H3/b26-19+,28-21+/t27-,29+,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H69NO11
Molecular Weight	776.0081
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:58:13 GMT 2023` Edited by `admin` on `Sat Dec 16 14:58:13 GMT 2023`
Record UNII	XB5YB7L8RD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TACROLIMUS IMPURITY H

Common Name

English

2-PIPERIDINECARBOXYLIC ACID, 1-FORMYL-, 3-HYDROXY-1-(2-(4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-12-METHOXY-2,8,10-TRIMETHYL-5-OXO-6-(2-PROPENYL)-12-(TETRAHYDRO-3-METHOXY-5-METHYL-6-OXO-2H-PYRAN-2-YL)-7-DODECENYL ESTER, (2R-(2.ALPHA.(1S*((E(1R*,3R

Systematic Name

English

TACROLIMUS MONOHYDRATE IMPURITY H [EP IMPURITY]

Common Name

English

(1E,3S,4R,5S,8R,9E,12S,14S)-5-HYDROXY-1-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-14-METHOXY-14-((2R,3S,5R)-3-METHOXY-5-METHYL-6-OXOOXAN-2-YL)-2,4,10,12-TETRAMETHYL-7-OXO-8-(PROP-2-EN-1-YL)TETRADECA-1,9-DIEN-3-YL (2S)-1-FORMYLPIPERIDINE-2-CARBOXYLATE

Systematic Name

English

2-PIPERIDINECARBOXYLIC ACID, 1-FORMYL-, (1S,2R,3S,6R,7E,10S,12S)-3-HYDROXY-1-((1E)-2-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-12-METHOXY-2,8,10-TRIMETHYL-5-OXO-6-(2-PROPEN-1-YL)-12-((2R,3S,5R)-TETRAHYDRO-3-METHOXY-5-METHYL-6-OXO-2H-PYR

Systematic Name

English

Code System Code Type Description

CAS

143210-33-7

Created by admin on Sat Dec 16 14:58:13 GMT 2023 , Edited by admin on Sat Dec 16 14:58:13 GMT 2023

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PUBCHEM

101342455

Created by admin on Sat Dec 16 14:58:13 GMT 2023 , Edited by admin on Sat Dec 16 14:58:13 GMT 2023

PRIMARY

FDA UNII

XB5YB7L8RD

Created by admin on Sat Dec 16 14:58:13 GMT 2023 , Edited by admin on Sat Dec 16 14:58:13 GMT 2023

PRIMARY

Related Record Type Details


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TACROLIMUS

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: