TENAPANOR

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H66Cl4N8O10S2
Molecular Weight	1145.049
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TENAPANOR

Structure Search

SMILES

CN1C[C@@H](C2=CC=CC(=C2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C3=CC(=CC=C3)[C@@H]4CN(C)CC5=C4C=C(Cl)C=C5Cl)C6=C(C1)C(Cl)=CC(Cl)=C6

InChI

InChIKey=DNHPDWGIXIMXSA-CXNSMIOJSA-N

InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H66Cl4N8O10S2
Molecular Weight	1145.049
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:59:38 UTC 2023` Edited by `admin` on `Sat Dec 16 03:59:38 UTC 2023`
Record UNII	WYD79216A6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TENAPANOR

Official Name

English

RDX-013 COMPONENT TENAPANOR

Common Name

English

TENAPANOR COMPONENT OF RDX013

Common Name

English

Tenapanor [WHO-DD]

Common Name

English

tenapanor [INN]

Common Name

English

TENAPANOR [MI]

Common Name

English

TENAPANOR [USAN]

Common Name

English

KHK7791

Code

English

N,N'-(10,17,-DIOXO-3,6,21,24-TETRAOXA-9,11,16,18-TETRAAZAHEXACOSANE-1,26-DIYL)BIS(((4S)-6,8-DICHLORO-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-4-YL)BENZENESULFONAMIDE)

Common Name

English

AZD-1722

Code

English

KHK-7791

Code

English

TENAPANOR COMPONENT OF RDX-013

Common Name

English

12,15-DIOXA-2,7,9-TRIAZAHEPTADECANAMIDE, 17-(((3-((4S)-6,8-DICHLORO-1,2,3,4-TETRAHYDRO-2-METHYL-4-ISOQUINOLINYL)PHENYL)SULFONYL)AMINO)-N-(2-(2-(2-(((3-((4S)-6,8-DICHLORO-1,2,3,4-TETRAHYDRO-2-METHYL-4-ISOQUINOLINYL)PHENYL)SULFONYL)AMINO)ETHOXY)ETHOXY)ETHY

Systematic Name

English

RDX013 COMPONENT TENAPANOR

Common Name

English

AZD1722

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C78276

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

Code System Code Type Description

SMS_ID

300000034408

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

NCI_THESAURUS

C152555

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

DRUG BANK

DB11761

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

RXCUI

2199674

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

DRUG CENTRAL

5349

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

INN

9652

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

WIKIPEDIA

Tenapanor

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

DAILYMED

WYD79216A6

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

LACTMED

Tenapanor

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

FDA UNII

WYD79216A6

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

CAS

1234423-95-0

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

PUBCHEM

71587953

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

MERCK INDEX

m12162

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID40154016

Created by admin on Sat Dec 16 03:59:38 UTC 2023 , Edited by admin on Sat Dec 16 03:59:38 UTC 2023

PRIMARY

Related Record Type Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					50605O2ZNS

TENAPANOR HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					WYD79216A6

TENAPANOR

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Comments:

Tenapanor is a substrate of CYP3A4 and CYP3A5; however, none of the CYP enzymes was found to be responsible for ≥25% of its overall elimination.

Related Record Type Details


					805SU96HKF

CYTOCHROME P450 3A5

IMPURITY -> PARENT

Comments:

Tenapanor is a substrate of CYP3A4 and CYP3A5; however, none of the CYP enzymes was found to be responsible for ≥25% of its overall elimination.

Related Record Type Details


					WYD79216A6

TENAPANOR

ACTIVE MOIETY

Amount: