Ditigloylteloidine hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H27NO5.ClH
Molecular Weight	373.872
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Ditigloylteloidine hydrochloride

Structure Search

SMILES

Cl.C\C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H]2C[C@@H](C[C@H]1N2C)OC(=O)C(\C)=C\C

InChI

InChIKey=VUAVQPWFVDLRSR-VCEFKTTKSA-N

InChI=1S/C18H27NO5.ClH/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2;/h6-7,12-16,20H,8-9H2,1-5H3;1H/b10-6+,11-7+;/t12-,13-,14+,15-,16+;/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	C18H27NO5
Molecular Weight	337.4107
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:53:45 GMT 2023` Edited by `admin` on `Sat Dec 16 19:53:45 GMT 2023`
Record UNII	G69VC6SP8X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ditigloylteloidine hydrochloride

Common Name

English

1αH,5αH-Tropane-3α,6β,7β-triol, 3,6-bis(2-methylcrotonate), hydrochloride, (E,E)-

Common Name

English

Code System Code Type Description

CAS

28305-72-8

Created by admin on Sat Dec 16 19:53:45 GMT 2023 , Edited by admin on Sat Dec 16 19:53:45 GMT 2023

PRIMARY

FDA UNII

G69VC6SP8X

Created by admin on Sat Dec 16 19:53:45 GMT 2023 , Edited by admin on Sat Dec 16 19:53:45 GMT 2023

PRIMARY

PUBCHEM

168429544

Created by admin on Sat Dec 16 19:53:45 GMT 2023 , Edited by admin on Sat Dec 16 19:53:45 GMT 2023

PRIMARY

Related Record Type Details


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Ditigloylteloidine

PARENT -> SALT/SOLVATE

Amount: