BETAMETHADOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H29NO
Molecular Weight	311.4611
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=QIRAYNIFEOXSPW-XLIONFOSSA-N

InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H29NO
Molecular Weight	311.4611
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 16:06:38 UTC 2023` Edited by `admin` on `Fri Dec 15 16:06:38 UTC 2023`
Record UNII	57ANR1Z628
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETAMETHADOL

Official Name

English

BENZENEETHANOL, .BETA.-((2R)-2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, (.ALPHA.S)-

Systematic Name

English

.BETA.-METHADOL

Common Name

English

(3S,6R)-6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANOL

Systematic Name

English

.BETA.-6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANOL

Common Name

English

betamethadol [INN]

Common Name

English

ACSCN-9609

Common Name

English

IDS-NB-005

Code

English

.BETA.-METHADOL, (-)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67413

Created by admin on Fri Dec 15 16:06:38 UTC 2023 , Edited by admin on Fri Dec 15 16:06:38 UTC 2023

DEA NO.

9609

Created by admin on Fri Dec 15 16:06:38 UTC 2023 , Edited by admin on Fri Dec 15 16:06:38 UTC 2023

Code System Code Type Description

FDA UNII

57ANR1Z628

Created by admin on Fri Dec 15 16:06:38 UTC 2023 , Edited by admin on Fri Dec 15 16:06:38 UTC 2023

PRIMARY

PUBCHEM

10064061

Created by admin on Fri Dec 15 16:06:39 UTC 2023 , Edited by admin on Fri Dec 15 16:06:39 UTC 2023

PRIMARY

EPA CompTox

DTXSID501017192

Created by admin on Fri Dec 15 16:06:38 UTC 2023 , Edited by admin on Fri Dec 15 16:06:38 UTC 2023

PRIMARY

CAS

17199-55-2

Created by admin on Fri Dec 15 16:06:38 UTC 2023 , Edited by admin on Fri Dec 15 16:06:38 UTC 2023

PRIMARY

EVMPD

SUB05796MIG

Created by admin on Fri Dec 15 16:06:38 UTC 2023 , Edited by admin on Fri Dec 15 16:06:38 UTC 2023

PRIMARY

SMS_ID

100000085868

Created by admin on Fri Dec 15 16:06:39 UTC 2023 , Edited by admin on Fri Dec 15 16:06:39 UTC 2023

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WIKIPEDIA

BETAMETHADOL

Created by admin on Fri Dec 15 16:06:39 UTC 2023 , Edited by admin on Fri Dec 15 16:06:39 UTC 2023

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INN

470

Created by admin on Fri Dec 15 16:06:38 UTC 2023 , Edited by admin on Fri Dec 15 16:06:38 UTC 2023

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NCI_THESAURUS

C77279

Created by admin on Fri Dec 15 16:06:38 UTC 2023 , Edited by admin on Fri Dec 15 16:06:38 UTC 2023

PRIMARY

ChEMBL

CHEMBL162243

Created by admin on Fri Dec 15 16:06:38 UTC 2023 , Edited by admin on Fri Dec 15 16:06:38 UTC 2023

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Related Record Type Details


					57ANR1Z628

BETAMETHADOL

ACTIVE MOIETY