DIHYDREXIDINE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H17NO2
Molecular Weight	267.3224
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIHYDREXIDINE

Structure Search

SMILES

[H][C@]12CCC3=C(C=C(O)C(O)=C3)[C@]1([H])C4=C(CN2)C=CC=C4

InChI

InChIKey=BGOQGUHWXBGXJW-YOEHRIQHSA-N

InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H17NO2
Molecular Weight	267.3224
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 `Sat Dec 16 05:49:17 UTC 2023` Edited by `admin` on `Sat Dec 16 05:49:17 UTC 2023`
Record UNII	32D64VH037
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIHYDREXIDINE

Common Name

English

BENZO(A)PHENANTHRIDINE-10,11-DIOL, 5,6,6A,7,8,12B-HEXAHYDRO-, HYDROCHLORIDE (1:1), (6AR,12BS)-REL-

Systematic Name

English

BENZO(A)PHENANTHRIDINE-10,11-DIOL, 5,6,6A,7,8,12B-HEXAHYDRO-, TRANS-

Common Name

English

BENZO(A)PHENANTHRIDINE-10,11-DIOL, 5,6,6A,7,8,12B-HEXAHYDRO-, HYDROCHLORIDE (1:1), (6ARS,12BSR)-, (±)-

Common Name

English

REL-(6AR,12BS)-5,6,6A,7,8,12B-HEXAHYDROBENZO(A)PHENANTHRIDINE-10,11-DIOL

Common Name

English

Code System Code Type Description

CAS

123039-93-0

Created by admin on Sat Dec 16 05:49:17 UTC 2023 , Edited by admin on Sat Dec 16 05:49:17 UTC 2023

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FDA UNII

32D64VH037

Created by admin on Sat Dec 16 05:49:17 UTC 2023 , Edited by admin on Sat Dec 16 05:49:17 UTC 2023

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EPA CompTox

DTXSID00894188

Created by admin on Sat Dec 16 05:49:17 UTC 2023 , Edited by admin on Sat Dec 16 05:49:17 UTC 2023

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PUBCHEM

5311070

Created by admin on Sat Dec 16 05:49:17 UTC 2023 , Edited by admin on Sat Dec 16 05:49:17 UTC 2023

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DRUG BANK

DB12890

Created by admin on Sat Dec 16 05:49:17 UTC 2023 , Edited by admin on Sat Dec 16 05:49:17 UTC 2023

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MESH

C061532

Created by admin on Sat Dec 16 05:49:17 UTC 2023 , Edited by admin on Sat Dec 16 05:49:17 UTC 2023

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WIKIPEDIA

DIHYDREXIDINE

Created by admin on Sat Dec 16 05:49:17 UTC 2023 , Edited by admin on Sat Dec 16 05:49:17 UTC 2023

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Related Record Type Details


					Q3PJ4B4D0X

DIHYDREXIDINE, (+)-

ACTIVE ISOMER -> PARENT

Comments:

In vitro, this isomer has 125-fold higher affinity for D1 receptors than the (−) enantiomer


					U4MPC92UC2

DIHYDREXIDINE, (-)-

ENANTIOMER -> RACEMATE


					Q3PJ4B4D0X

DIHYDREXIDINE, (+)-

ENANTIOMER -> RACEMATE