DIHYDRO-.BETA.-ERGOCRYPTINE MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H43N5O5.CH4O3S
Molecular Weight	673.82
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIHYDRO-.BETA.-ERGOCRYPTINE MESYLATE

Structure Search

SMILES

CS(O)(=O)=O.[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=YKEUOHBRJUALFI-ILSKZLILSA-N

InChI=1S/C32H43N5O5.CH4O3S/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;1-5(2,3)4/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/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

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:43:15 UTC 2023` Edited by `admin` on `Fri Dec 15 15:43:15 UTC 2023`
Record UNII	79Y4U49I29
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DIHYDRO-.BETA.-ERGOCRYPTINE MESYLATE

Common Name

English

9,10-.ALPHA.-DIHYDRO-13'-EPI-.BETA.-ERGOCRYPTINE MESILATE (SALT)

Common Name

English

EPICRIPTINE MESYLATE

Common Name

English

DIHYDRO-.BETA.-ERGOCRYPTINE MESILATE

Common Name

English

9,10-.ALPHA.-DIHYDRO-13'-EPI-.BETA.-ERGOCRYPTINE MESYLATE (SALT)

Common Name

English

EPICRIPTINE MESILATE

Common Name

English

DIHYDROERGOCRYPTINE BETA-MESILATE

Common Name

English

Dihydroergocryptine beta-mesilate [WHO-DD]

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

265-975-9