ETHOHEPTAZINE CITRATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H23NO2.C6H8O7
Molecular Weight	453.4828
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHOHEPTAZINE CITRATE

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC(=O)C1(CCCN(C)CC1)C2=CC=CC=C2

InChI

InChIKey=KCVHFFSPDODYOG-UHFFFAOYSA-N

InChI=1S/C16H23NO2.C6H8O7/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9H,3,7,10-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C16H23NO2
Molecular Weight	261.3593
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:00:41 UTC 2023` Edited by `admin` on `Fri Dec 15 15:00:41 UTC 2023`
Record UNII	LXK8EE245D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHOHEPTAZINE CITRATE

Common Name

English

ETHOHEPTAZINE CITRATE [MART.]

Common Name

English

ETHOHEPTAZINE CITRATE [MI]

Common Name

English

ETHYL HEXAHYDRO-1-METHYL-4-PHENYL-1H-AZEPINE-4-CARBOXYLATE CITRATE

Systematic Name

English

ETHOHEPTAZINE CITRATE [JAN]

Common Name

English

Ethoheptazine citrate [WHO-DD]

Common Name

English

ETHOHEPTAZINE CITRATE [VANDF]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67413

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

Code System Code Type Description

DRUG BANK

DBSALT001084

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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MERCK INDEX

m1138

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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Merck Index

CAS

6700-56-7

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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SMS_ID

100000087280

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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NCI_THESAURUS

C76841

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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RXCUI

235416

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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RxNorm

ECHA (EC/EINECS)

229-743-0

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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EVMPD

SUB02001MIG

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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ChEMBL

CHEMBL170797

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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PUBCHEM

23165

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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FDA UNII

LXK8EE245D

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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CAS

2085-42-9

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

ALTERNATIVE

EPA CompTox

DTXSID80943103

Created by admin on Fri Dec 15 15:00:41 UTC 2023 , Edited by admin on Fri Dec 15 15:00:41 UTC 2023

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