MCL-101

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H29NO.C8H8O3
Molecular Weight	463.6084
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H](C(O)=O)C1=CC=CC=C1.OC2=CC=C3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC6CCC6)C3=C2

InChI

InChIKey=CBWUCCIELNNDND-ZQAVXXLMSA-N

InChI=1S/C21H29NO.C8H8O3/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15;9-7(8(10)11)6-4-2-1-3-5-6/h7-8,13,15,18,20,23H,1-6,9-12,14H2;1-5,7,9H,(H,10,11)/t18-,20+,21+;7-/m00/s1

HIDE SMILES / InChI

Molecular Formula	C8H8O3
Molecular Weight	152.1473
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C21H29NO
Molecular Weight	311.4611
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	( - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:41:36 GMT 2025` Edited by `admin` on `Mon Mar 31 22:41:36 GMT 2025`
Record UNII	C827PE9BT9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MCL-101

Code

English

MORPHINAN-3-OL, 17-(CYCLOBUTYLMETHYL)-, (.ALPHA.S)-.ALPHA.-HYDROXYBENZENEACETATE (1:1)

Preferred Name

English

BENZENEACETIC ACID, .ALPHA.-HYDROXY-, (.ALPHA.S)-, COMPD. WITH 17-(CYCLOBUTYLMETHYL)MORPHINAN-3-OL (1:1)

Systematic Name

English

MORPHINAN-3-OL, 17-(CYCLOBUTYLMETHYL)-, (.ALPHA.S)-.ALPHA.-HYDROXYBENZENEACETATE (SALT)

Systematic Name

English

MCL101

Code

English

Code System Code Type Description

CAS

259192-07-9

Created by admin on Mon Mar 31 22:41:36 GMT 2025 , Edited by admin on Mon Mar 31 22:41:36 GMT 2025

PRIMARY

FDA UNII

C827PE9BT9

Created by admin on Mon Mar 31 22:41:36 GMT 2025 , Edited by admin on Mon Mar 31 22:41:36 GMT 2025

PRIMARY

PUBCHEM

9804449

Created by admin on Mon Mar 31 22:41:36 GMT 2025 , Edited by admin on Mon Mar 31 22:41:36 GMT 2025

PRIMARY

Related Record Type Details


					6KS5448QQJ

MCL-101 FREE BASE

ACTIVE MOIETY