.BETA.-DIHYDROERGOCRYPTINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H43N5O5
Molecular Weight	577.7143
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCCN1C(=O)[C@H]([C@@H](C)CC)N3C(=O)[C@](NC(=O)[C@H]4CN(C)[C@]5([H])CC6=CNC7=CC=CC(=C67)[C@@]5([H])C4)(O[C@@]23O)C(C)C

InChI

InChIKey=SBFXHXZNBNFPHV-PSELOKDRSA-N

InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20+,22+,24+,25-,27-,31+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H43N5O5
Molecular Weight	577.7143
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:29:53 UTC 2023` Edited by `admin` on `Sat Dec 16 08:29:53 UTC 2023`
Record UNII	H6EBC7Y4PM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-DIHYDROERGOCRYPTINE

Common Name

English

9,10-DIHYDRO-.BETA.-ERGOCRYPTINE

Common Name

English

.BETA.-ERGOCRYPTINE, 9,10-DIHYDRO-

Common Name

English

DIHYDRO-.BETA.-ERGOCRYPTIN

Common Name

English

.BETA.-ERGOCRYPTINE, DIHYDRO-

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 9,10-DIHYDRO-12'-HYDROXY-2'-(1-METHYLETHYL)-5'-((1S)-1-METHYLPROPYL)-, (5'.ALPHA.,10.ALPHA.)-

Systematic Name

English

Dihydroergocryptine, beta-isomer [WHO-DD]

Common Name

English

DIHYDROERGOCRYPTINE, BETA-ISOMER

Common Name

English

Code System Code Type Description

FDA UNII

H6EBC7Y4PM