H3B-8800

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H45N3O6
Molecular Weight	555.7055
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)\C=C\[C@@H]1C)C3=NC=CC=C3

InChI

InChIKey=YOIQWBAHJZGRFW-WVRLKXNASA-N

InChI=1S/C31H45N3O6/c1-22(26-11-6-7-16-32-26)9-8-10-23(2)29-24(3)12-13-27(39-30(37)34-19-17-33(5)18-20-34)31(4,38)15-14-25(35)21-28(36)40-29/h6-13,16,22,24-25,27,29,35,38H,14-15,17-21H2,1-5H3/b9-8+,13-12+,23-10+/t22-,24+,25-,27+,29-,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H45N3O6
Molecular Weight	555.7055
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:47:37 GMT 2023` Edited by `admin` on `Sat Dec 16 11:47:37 GMT 2023`
Record UNII	90YLS47BRX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

H3B-8800

Code

English

H3B 8800 [WHO-DD]

Common Name

English

H3B8800

Code

English

1-PIPERAZINECARBOXYLIC ACID, 4-METHYL-, (2S,3S,4E,6S,7R,10R)-7,10-DIHYDROXY-3,7-DIMETHYL-2-((1E,3E,5R)-1-METHYL-5-(2-PYRIDINYL)-1,3-HEXADIEN-1-YL)-12-OXOOXACYCLODODEC-4-EN-6-YL ESTER

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

581817