H-237 CITRATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H31NO2.C6H8O7
Molecular Weight	533.6106
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(C)CC2=CC=C(OC)C=C2

InChI

InChIKey=JXWBFODZYRPZEU-UHFFFAOYSA-N

InChI=1S/C22H31NO2.C6H8O7/c1-5-23(6-2)15-16-25-22-13-9-20(10-14-22)18(3)17-19-7-11-21(24-4)12-8-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-14,18H,5-6,15-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C22H31NO2
Molecular Weight	341.487
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 `Sat Dec 16 08:38:09 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:09 GMT 2023`
Record UNII	UDS6874TZG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

H-237 CITRATE

Common Name

English

TRIETHYLAMINE, 2-(P-(P-METHOXY-ALPHA-METHYLPHENETHYL)PHENOXY)-, CITRATE

Systematic Name

English

ETHANAMINE, N,N-DIETHYL-2-(4-(2-(4-METHOXYPHENYL)-1-METHYLETHYL)PHENOXY)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

15624-34-7

Created by admin on Sat Dec 16 08:38:09 GMT 2023 , Edited by admin on Sat Dec 16 08:38:09 GMT 2023

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PUBCHEM

204120

Created by admin on Sat Dec 16 08:38:09 GMT 2023 , Edited by admin on Sat Dec 16 08:38:09 GMT 2023

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FDA UNII

UDS6874TZG

Created by admin on Sat Dec 16 08:38:09 GMT 2023 , Edited by admin on Sat Dec 16 08:38:09 GMT 2023

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EPA CompTox

DTXSID70935411

Created by admin on Sat Dec 16 08:38:09 GMT 2023 , Edited by admin on Sat Dec 16 08:38:09 GMT 2023

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