COUMINGINE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H47NO6.ClH
Molecular Weight	542.148
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@]12CC\C([C@H](C)[C@]1([H])C(=O)C[C@@]3([H])C(C)(C)[C@H](CC[C@]23C)OC(=O)CC(C)(C)O)=C/C(=O)OCCN(C)C

InChI

InChIKey=UPIRBQTUKNVAGI-HVYOZLOQSA-N

InChI=1S/C29H47NO6.ClH/c1-18-19(15-24(32)35-14-13-30(7)8)9-10-20-26(18)21(31)16-22-28(4,5)23(11-12-29(20,22)6)36-25(33)17-27(2,3)34;/h15,18,20,22-23,26,34H,9-14,16-17H2,1-8H3;1H/b19-15+;/t18-,20-,22-,23-,26-,29+;/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	C29H47NO6
Molecular Weight	505.6866
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:00:06 GMT 2023` Edited by `admin` on `Sat Dec 16 10:00:06 GMT 2023`
Record UNII	405KR8VC10
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COUMINGINE HYDROCHLORIDE

Common Name

English

BUTANOIC ACID, 3-HYDROXY-3-METHYL-, 7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,1,4A,8-TETRAMETHYL-9-OXO-2-PHENANTHRENYL ESTER, HYDROCHLORIDE, (2S-(2.ALPHA.,4A.ALPHA.,4B.BETA.,7E,8.BETA.,8A.ALPHA.,10A.BETA.))-

Systematic Name

English

3-HYDROXY-3-METHYLBUTANOIC ACID (2S,4AR,4BS,7E,8R,8AS,10AR)-7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,1,4A,8-TETRAMETHYL-9-OXO-2-PHENANTHRENYL ESTER, HYDROCHLORIDE

Systematic Name

English

COUMINGINE HYDROCHLORIDE [MI]

Common Name

English

Code System Code Type Description

CAS

22149-23-1