MINNELIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H25O10P.2Na
Molecular Weight	514.3705
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[H][C@@]12C[C@@H]3O[C@@]34[C@H](OCOP([O-])([O-])=O)[C@]5(O[C@H]5[C@@H]6O[C@]46[C@@]1(C)CCC7=C2COC7=O)C(C)C

InChI

InChIKey=ZHBJMVNZRZUQEP-KIKMAQITSA-L

InChI=1S/C21H27O10P.2Na/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25;;/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25);;/q;2*+1/p-2/t12-,13-,14-,15-,17+,18-,19-,20+,21+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C21H25O10P
Molecular Weight	468.391
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:17:57 UTC 2023` Edited by `admin` on `Sat Dec 16 09:17:57 UTC 2023`
Record UNII	1CIV2UMO40
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MINNELIDE

Common Name

English

14-O-PHOSPHONOOXYMETHYLTRIPTOLIDE DISODIUM SALT

Common Name

English

TRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE, 3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-8B-METHYL-6A-(1-METHYLETHYL)-6-((PHOSPHONOOXY)METHOXY)-, SODIUM SALT (1:2), (3BS,4AS,5AR,6R,6AS,7AS,7BS,8AS,8BS)-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

388512