CELGOSIVIR HYDROCHLORIDE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H21NO5.ClH
Molecular Weight	295.76
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CELGOSIVIR HYDROCHLORIDE

Structure Search

SMILES

Cl.[H][C@]12[C@@H](O)CCN1C[C@H](OC(=O)CCC)[C@@H](O)[C@@H]2O

InChI

InChIKey=KXNZMBFOWDNCRU-QVMZSJACSA-N

InChI=1S/C12H21NO5.ClH/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16;/h7-8,10-12,14,16-17H,2-6H2,1H3;1H/t7-,8-,10+,11+,12+;/m0./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	C12H21NO5
Molecular Weight	259.2988
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:23 UTC 2023` Edited by `admin` on `Fri Dec 15 15:54:23 UTC 2023`
Record UNII	70U2NQU0FP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CELGOSIVIR HYDROCHLORIDE

Official Name

English

BUTANOIC ACID, OCTAHYDRO-1,7,8-TRIHYDROXY-6-INDOLIZINYL ESTER, HYDROCHLORIDE, (1S-(1.ALPHA.,6.BETA.,7.ALPHA.,8.BETA.,8A.BETA.))-

Common Name

English

Celgosivir hydrochloride [WHO-DD]

Common Name

English

CELGOSIVIR HYDROCHLORIDE [USAN]

Common Name

English

MDL-28574A

Code

English

(1S,6S,7S,8R,8aR)-Octahydro-1,7,8-trihydroxy-6-indolizinyl butyrate, hydrochloride

Systematic Name

English

MDL 28,574A

Code

English

CELGOSIVIR HCL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2846

Created by admin on Fri Dec 15 15:54:23 UTC 2023 , Edited by admin on Fri Dec 15 15:54:23 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID50161574

Created by admin on Fri Dec 15 15:54:23 UTC 2023 , Edited by admin on Fri Dec 15 15:54:23 UTC 2023

PRIMARY

ChEMBL

CHEMBL2110737

Created by admin on Fri Dec 15 15:54:23 UTC 2023 , Edited by admin on Fri Dec 15 15:54:23 UTC 2023

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DRUG BANK

DBSALT002026

Created by admin on Fri Dec 15 15:54:23 UTC 2023 , Edited by admin on Fri Dec 15 15:54:23 UTC 2023

PRIMARY

USAN

HH-60

Created by admin on Fri Dec 15 15:54:23 UTC 2023 , Edited by admin on Fri Dec 15 15:54:23 UTC 2023

PRIMARY

NCI_THESAURUS

C87464

Created by admin on Fri Dec 15 15:54:23 UTC 2023 , Edited by admin on Fri Dec 15 15:54:23 UTC 2023

PRIMARY

CAS

141117-12-6

Created by admin on Fri Dec 15 15:54:23 UTC 2023 , Edited by admin on Fri Dec 15 15:54:23 UTC 2023

PRIMARY

FDA UNII

70U2NQU0FP

Created by admin on Fri Dec 15 15:54:23 UTC 2023 , Edited by admin on Fri Dec 15 15:54:23 UTC 2023

PRIMARY

PUBCHEM

3033824

Created by admin on Fri Dec 15 15:54:23 UTC 2023 , Edited by admin on Fri Dec 15 15:54:23 UTC 2023

PRIMARY

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