SAMANDARINE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H31NO2.ClH
Molecular Weight	341.916
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]12C[C@H](O)C[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@H]5NC[C@H](O5)[C@]34C

InChI

InChIKey=JSCFULNKKDTUNE-AQOXFJSPSA-N

InChI=1S/C19H31NO2.ClH/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2;/h11-17,20-21H,3-10H2,1-2H3;1H/t11-,12+,13-,14+,15+,16+,17+,18-,19+;/m1./s1

HIDE SMILES / InChI

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	C19H31NO2
Molecular Weight	305.4549
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:18:11 UTC 2023` Edited by `admin` on `Sat Dec 16 08:18:11 UTC 2023`
Record UNII	6I3GJM97RJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAMANDARINE HYDROCHLORIDE

Common Name

English

SAMANDARINE HYDROCHLORIDE [MI]

Common Name

English

1.ALPHA.,4.ALPHA.,5.BETA.,16.BETA.)-1,4-EPOXY-3-AZA-A-HOMOANDROSTAN-16-OL, HYDROCHLORIDE

Common Name

English

2,5-EPOXYCYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-9-OL, OCTADECAHYDRO-5A,7A-DIMETHYL-, HYDROCHLORIDE (1:1), (2S,5R,5AS,5BS,7AR,9S,10AS,10BS,12AR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90478794

Created by admin on Sat Dec 16 08:18:11 UTC 2023 , Edited by admin on Sat Dec 16 08:18:11 UTC 2023

PRIMARY

CAS

619326-02-2

Created by admin on Sat Dec 16 08:18:11 UTC 2023 , Edited by admin on Sat Dec 16 08:18:11 UTC 2023

PRIMARY

MERCK INDEX

m9753

Created by admin on Sat Dec 16 08:18:11 UTC 2023 , Edited by admin on Sat Dec 16 08:18:11 UTC 2023

PRIMARY

Merck Index

FDA UNII

6I3GJM97RJ

Created by admin on Sat Dec 16 08:18:11 UTC 2023 , Edited by admin on Sat Dec 16 08:18:11 UTC 2023

PRIMARY

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SAMANDARINE

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