E-1010 TRIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H29N3O5S.ClH.3H2O
Molecular Weight	502.022
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.Cl.[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@]([H])(C3)[C@H](O)[C@]4([H])CCNC4)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

InChI

InChIKey=TZFGNKLFAWQNPV-DGCZJTPESA-N

InChI=1S/C19H29N3O5S.ClH.3H2O/c1-8-14-13(9(2)23)18(25)22(14)15(19(26)27)17(8)28-11-5-12(21-7-11)16(24)10-3-4-20-6-10;;;;/h8-14,16,20-21,23-24H,3-7H2,1-2H3,(H,26,27);1H;3*1H2/t8-,9-,10-,11+,12+,13-,14-,16-;;;;/m1..../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	C19H29N3O5S
Molecular Weight	411.516
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:25:49 GMT 2023` Edited by `admin` on `Sat Dec 16 08:25:49 GMT 2023`
Record UNII	PJ3976Y0WR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

E-1010 TRIHYDRATE

Common Name

English

1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 6-((1R)-1-HYDROXYETHYL)-3-(((3S,5S)-5-((R)-HYDROXY(3R)-3-PYRROLIDINYLMETHYL)-3-PYRROLIDINYL)THIO)-4-METHYL-7-OXO-, HYDROCHLORIDE, HYDRATE (1:1:3), (4R,5S,6S)-

Systematic Name

English

(+)-E-1010 TRIHYDRATE

Code

English

Code System Code Type Description

PUBCHEM

69619048

Created by admin on Sat Dec 16 08:25:49 GMT 2023 , Edited by admin on Sat Dec 16 08:25:49 GMT 2023

PRIMARY

FDA UNII

PJ3976Y0WR

Created by admin on Sat Dec 16 08:25:49 GMT 2023 , Edited by admin on Sat Dec 16 08:25:49 GMT 2023

PRIMARY

CAS

312774-19-9

Created by admin on Sat Dec 16 08:25:49 GMT 2023 , Edited by admin on Sat Dec 16 08:25:49 GMT 2023

PRIMARY

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