BUPHANITINE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H21NO5.ClH
Molecular Weight	355.813
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]12C[C@@H](O)C[C@@H](O)[C@]13CC[N@]2CC4=C(OC)C5=C(OCO5)C=C34

InChI

InChIKey=LMDZTQCHIHHCLF-CIIYBQJVSA-N

InChI=1S/C17H21NO5.ClH/c1-21-15-10-7-18-3-2-17(13(18)4-9(19)5-14(17)20)11(10)6-12-16(15)23-8-22-12;/h6,9,13-14,19-20H,2-5,7-8H2,1H3;1H/t9-,13-,14-,17+;/m1./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	C17H21NO5
Molecular Weight	319.3523
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:42:47 UTC 2023` Edited by `admin` on `Sat Dec 16 10:42:47 UTC 2023`
Record UNII	31O7C700O6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUPHANITINE HYDROCHLORIDE

Common Name

English

BUPHANITINE HYDROCHLORIDE [MI]

Common Name

English

1H,6H-5,11B-ETHANO(1,3)DIOXOLO(4,5-J)PHENANTHRIDINE-1,3-DIOL, 2,3,4,4A-TETRAHYDRO-7-METHOXY-, HYDROCHLORIDE (1:1), (1R,3R,4AR,5S,11BS)-

Systematic Name

English

Code System Code Type Description

CAS

1071558-25-2

Created by admin on Sat Dec 16 10:42:47 UTC 2023 , Edited by admin on Sat Dec 16 10:42:47 UTC 2023

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MERCK INDEX

m2767

Created by admin on Sat Dec 16 10:42:47 UTC 2023 , Edited by admin on Sat Dec 16 10:42:47 UTC 2023

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Merck Index

PUBCHEM

73357807

Created by admin on Sat Dec 16 10:42:47 UTC 2023 , Edited by admin on Sat Dec 16 10:42:47 UTC 2023

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FDA UNII

31O7C700O6

Created by admin on Sat Dec 16 10:42:47 UTC 2023 , Edited by admin on Sat Dec 16 10:42:47 UTC 2023

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