3-METHYLFENTANYL, (3S,4R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30N2O
Molecular Weight	350.4971
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(=O)N([C@@H]1CCN(CCC2=CC=CC=C2)C[C@@H]1C)C3=CC=CC=C3

InChI

InChIKey=MLQRZXNZHAOCHQ-SIKLNZKXSA-N

InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H30N2O
Molecular Weight	350.4971
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Opioid receptor 5 Target ID: CHEMBL2094129 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3012085	Agonist 2752		21.0 nM [IC50]

PubMed

Title	Date	PubMed
Probes for narcotic receptor mediated phenomena. 12. cis-(+)-3-Methylfentanyl isothiocyanate, a potent site-directed acylating agent for delta opioid receptors. Synthesis, absolute configuration, and receptor enantioselectivity.	1986-06	3012085

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:11:44 GMT 2025` Edited by `admin` on `Mon Mar 31 23:11:44 GMT 2025`
Record UNII	LM5584ER42
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

R-25830

Preferred Name

English

3-METHYLFENTANYL, (3S,4R)-

Common Name

English

ROPANAMIDE, N-((3S,4R)-3-METHYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-N-PHENYL-

Systematic Name

English

CIS-3-METHYL FENTANYL

Common Name

English

PROPANAMIDE, N-(3-METHYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-N-PHENYL-, (3S-CIS)-

Systematic Name

English

CIS-(-)-3-METHYLFENTANYL

Common Name

English

Code System Code Type Description

CAS

53758-20-6

Created by admin on Mon Mar 31 23:11:44 GMT 2025 , Edited by admin on Mon Mar 31 23:11:44 GMT 2025

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PUBCHEM

40537360

Created by admin on Mon Mar 31 23:11:44 GMT 2025 , Edited by admin on Mon Mar 31 23:11:44 GMT 2025

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EPA CompTox

DTXSID401036731

Created by admin on Mon Mar 31 23:11:44 GMT 2025 , Edited by admin on Mon Mar 31 23:11:44 GMT 2025

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FDA UNII

LM5584ER42

Created by admin on Mon Mar 31 23:11:44 GMT 2025 , Edited by admin on Mon Mar 31 23:11:44 GMT 2025

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