DIPIPANONE HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H31NO.ClH.H2O
Molecular Weight	403.985
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIPIPANONE HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.CCC(=O)C(CC(C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=AVDIIYADRQEYFP-UHFFFAOYSA-N

InChI=1S/C24H31NO.ClH.H2O/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H;1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C24H31NO
Molecular Weight	349.509
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:16:15 UTC 2023` Edited by `admin` on `Sat Dec 16 10:16:15 UTC 2023`
Record UNII	B06K5XX77E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIPIPANONE HYDROCHLORIDE MONOHYDRATE

Common Name

English

3-HEPTANONE, 4,4-DIPHENYL-6-(1-PIPERIDINYL)-, HYDROCHLORIDE, HYDRATE (1:1:1)

Systematic Name

English

3-HEPTANONE, 4,4-DIPHENYL-6-(1-PIPERIDINYL)-, HYDROCHLORIDE, MONOHYDRATE, (±)-

Systematic Name

English

Code System Code Type Description

FDA UNII

B06K5XX77E

Created by admin on Sat Dec 16 10:16:15 UTC 2023 , Edited by admin on Sat Dec 16 10:16:15 UTC 2023

PRIMARY

CAS

80894-42-4

Created by admin on Sat Dec 16 10:16:15 UTC 2023 , Edited by admin on Sat Dec 16 10:16:15 UTC 2023

PRIMARY

PUBCHEM

126961355

Created by admin on Sat Dec 16 10:16:15 UTC 2023 , Edited by admin on Sat Dec 16 10:16:15 UTC 2023

PRIMARY

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