CROBENETINE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H33NO2.ClH
Molecular Weight	415.996
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@]12CC3=C(O)C=CC=C3[C@](C)(CCN1C[C@H](C)OCC4=CC=CC=C4)C2(C)C

InChI

InChIKey=UWKTVIXWZRROOI-VLIWAZBPSA-N

InChI=1S/C25H33NO2.ClH/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3;/h5-12,18,23,27H,13-17H2,1-4H3;1H/t18-,23+,25-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C25H33NO2
Molecular Weight	379.535
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:32:28 UTC 2023` Edited by `admin` on `Sat Dec 16 14:32:28 UTC 2023`
Record UNII	IDY3G35OLT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CROBENETINE HYDROCHLORIDE

Common Name

English

BIII-890 CL

Code

English

BIII-890 HYDROCHLORIDE

Code

English

2,6-METHANO-3-BENZAZOCIN-10-OL, 1,2,3,4,5,6-HEXAHYDRO-6,11,11-TRIMETHYL-3-((2S)-2-(PHENYLMETHOXY)PROPYL)-, HYDROCHLORIDE (1:1), (2R,6S)-

Systematic Name

English

2R-(2.ALPHA.,3(S*),6.ALPHA.)-1,2,3,4,5,6-HEXAHYDRO-6,11,11-TRIMETHYL-3-(2-(PHENYLMETHOXY)PROPYL)-2,6-METHANO-3-BENZAZOCIN-10-OL HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

23571632

Created by admin on Sat Dec 16 14:32:28 UTC 2023 , Edited by admin on Sat Dec 16 14:32:28 UTC 2023

PRIMARY

CAS

221018-88-8

Created by admin on Sat Dec 16 14:32:28 UTC 2023 , Edited by admin on Sat Dec 16 14:32:28 UTC 2023

PRIMARY

FDA UNII

IDY3G35OLT

Created by admin on Sat Dec 16 14:32:28 UTC 2023 , Edited by admin on Sat Dec 16 14:32:28 UTC 2023

PRIMARY

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