SAFINGOL HYDROCHLORIDE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H39NO2.ClH
Molecular Weight	337.969
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SAFINGOL HYDROCHLORIDE

Structure Search

SMILES

Cl.CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO

InChI

InChIKey=BEHHCQFBLOARIX-APTPAJQOSA-N

InChI=1S/C18H39NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;/h17-18,20-21H,2-16,19H2,1H3;1H/t17-,18-;/m0./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	C18H39NO2
Molecular Weight	301.5078
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 `Fri Dec 15 16:17:43 UTC 2023` Edited by `admin` on `Fri Dec 15 16:17:43 UTC 2023`
Record UNII	30MA50WJ4N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAFINGOL HYDROCHLORIDE

Official Name

English

SPC-100271

Code

English

SAFINGOL HCL

Common Name

English

SAFINGOL HYDROCHLORIDE [USAN]

Common Name

English

(2S,3S)-2-Amino-1,3-octadecanediol hydrochloride

Systematic Name

English

1,3-OCTADECANEDIOL, 2-AMINO-, HYDROCHLORIDE, (S-(R*,R*))-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2089

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

Code System Code Type Description

CAS

139755-79-6

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

PRIMARY

ChEMBL

CHEMBL1442934

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

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FDA UNII

30MA50WJ4N

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

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USAN

EE-56

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

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EPA CompTox

DTXSID90161159

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

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MESH

C005682

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

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PUBCHEM

3058738

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

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DRUG BANK

DBSALT002106

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

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NCI_THESAURUS

C80327

Created by admin on Fri Dec 15 16:17:43 UTC 2023 , Edited by admin on Fri Dec 15 16:17:43 UTC 2023

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