ACETYLDIGITOXIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H66O14
Molecular Weight	806.9757
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACETYLDIGITOXIN

Structure Search

SMILES

[H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]4CC[C@@]5(C)[C@]([H])(CC[C@]6([H])[C@]5([H])CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4

InChI

InChIKey=HPMZBILYSWLILX-UMDUKNJSSA-N

InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C43H66O14
Molecular Weight	806.9757
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:39:34 UTC 2023` Edited by `admin` on `Fri Dec 15 15:39:34 UTC 2023`
Record UNII	0ZV4Q4L2FU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETYLDIGITOXIN

Official Name

English

ACETYLDIGITOXIN [MART.]

Common Name

English

(3.BETA.,5.BETA.)-3-((O-3-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE

Common Name

English

Acetyldigitoxin [WHO-DD]

Common Name

English

ACETYLDIGITOXINS .ALPHA.-FORM

Common Name

English

ACETYLDIGITOXINS .ALPHA.-FORM [MI]

Common Name

English

acetyldigitoxin [INN]

Common Name

English

ACYLANID

Brand Name

English

ACETYLDIGITOXIN [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QC01AA01

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

WHO-ATC

C01AA01

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

NCI_THESAURUS

C47793

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

NCI_THESAURUS

C66894

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

Code System Code Type Description

FDA UNII

0ZV4Q4L2FU

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

PRIMARY

WIKIPEDIA

ACETYLDIGITOXIN

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545057

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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CHEBI

53773

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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DAILYMED

0ZV4Q4L2FU

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

PRIMARY

EVMPD

SUB05230MIG

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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DRUG CENTRAL

67

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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DRUG BANK

DB00511

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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MERCK INDEX

m1354

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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Merck Index

CAS

1111-39-3

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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EPA CompTox

DTXSID6022551

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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ECHA (EC/EINECS)

214-178-4

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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IUPHAR

6794

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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SMS_ID

100000084600

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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PUBCHEM

5284512

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

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INN

792

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

PRIMARY

NCI_THESAURUS

C65212

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

PRIMARY

RXCUI

132871

Created by admin on Fri Dec 15 15:39:34 UTC 2023 , Edited by admin on Fri Dec 15 15:39:34 UTC 2023

PRIMARY

RxNorm

Related Record Type Details


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Digitoxin

ACTIVE MOIETY