4-METHYLAMPHETAMINE HEMISULFATE

Details

Stereochemistry	RACEMIC
Molecular Formula	2C10H15N.H2O4S
Molecular Weight	396.544
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYLAMPHETAMINE HEMISULFATE

Structure Search

SMILES

OS(O)(=O)=O.CC(N)CC1=CC=C(C)C=C1.CC(N)CC2=CC=C(C)C=C2

InChI

InChIKey=GDLMCBCNPGSXIY-UHFFFAOYSA-N

InChI=1S/2C10H15N.H2O4S/c2*1-8-3-5-10(6-4-8)7-9(2)11;1-5(2,3)4/h2*3-6,9H,7,11H2,1-2H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

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

Molecular Formula	C10H15N
Molecular Weight	149.2328
Charge	0
Count

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

Approval Year

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
substrate 1737	substrate 1037	substrate 1217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
	CYP1A2 1054 CYP2A6 543 CYP2B6 664 CYP2C8 693 CYP2C19 991 CYP2E1 667 CYP3A5 395

Drug as victim

Target	Modality	Activity
CYP1A2 1054	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	no
CYP2A6 543	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	no
CYP2B6 664	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	no
CYP2C19 991	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	no
CYP2C8 693	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	no
CYP2C9 1037	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	no
CYP2D6 1217	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	no
CYP2E1 667	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	no
CYP3A4 1737	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	no
CYP3A5 395	substrate 3367 Sources: https://link.springer.com/article/10.1007%2Fs00216-013-7595-5	yes

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P00D7AD
ABI Chem	AC1L56QA
Alichem	490022903	http://www.alichem.com/en/products/64-11-9.html
AstaTech	N10874
AstaTech	N14354
Aurora Fine Chemicals LLC	A00.038.628	http://online.aurorafinechemicals.com/info?ID=A00.038.628
ChemTik	CTK2F2278
Chemhere	Achem143647
Chemieliva Pharmaceutical Co., Ltd	PBCM0000116
Chemspace	CSC012023793
Chemspace	CSC012568794
Enamine	BBV-053706
Enamine	BBV-38389367
Enamine	BBV-44975195
Lab Network	LN03254328	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN03254328
Life Chemicals	F0798-0599
MolPort	MolPort-003-733-064
MolPort	MolPort-033-484-114
NCI Plated 2007	27114
OChem	11955	http://www.ocheminc.com/index.php?act=psearch&pid=064M119
Smolecule	S567888	https://www.smolecule.com/products/s567888
Synblock Inc	MB01961	http://www.synblock.com/product/64-11-9.html
Synovel	SN-3032
Toronto Research Chemicals	M287400
ZINC	ZINC000001634310	http://zinc15.docking.org/substances/ZINC000001634310
ZINC	ZINC000003617442	http://zinc15.docking.org/substances/ZINC000003617442
eMolecules	303506148

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:02:08 GMT 2023` Edited by `admin` on `Sat Dec 16 12:02:08 GMT 2023`
Record UNII	04XMA0R4NF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYLAMPHETAMINE HEMISULFATE

Common Name

English

BENZENEETHANAMINE, .ALPHA.,4-DIMETHYL-, SULFATE (2:1)

Systematic Name

English

NSC-27114

Code

English

PHENETHYLAMINE, P,ALPHA-DIMETHYL-, SULFATE (2:1)

Common Name

English

Code System Code Type Description

NSC

27114

Created by admin on Sat Dec 16 12:02:08 GMT 2023 , Edited by admin on Sat Dec 16 12:02:08 GMT 2023

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FDA UNII

04XMA0R4NF

Created by admin on Sat Dec 16 12:02:08 GMT 2023 , Edited by admin on Sat Dec 16 12:02:08 GMT 2023

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CAS

50650-74-3

Created by admin on Sat Dec 16 12:02:08 GMT 2023 , Edited by admin on Sat Dec 16 12:02:08 GMT 2023

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PUBCHEM

3039467

Created by admin on Sat Dec 16 12:02:08 GMT 2023 , Edited by admin on Sat Dec 16 12:02:08 GMT 2023

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4-METHYLAMPHETAMINE

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