PYRROLIDINOMETHYLDOXYCYCLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H33N3O8
Molecular Weight	527.5662
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PYRROLIDINOMETHYLDOXYCYCLINE

Structure Search

SMILES

[H][C@@]12[C@@H](C)C3=CC=CC(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(=O)NCN5CCCC5)=C(O)[C@@H](N(C)C)[C@]4([H])[C@H]2O

InChI

InChIKey=WFDKDMCVVVTMSA-ZXQSLTRQSA-N

InChI=1S/C27H33N3O8/c1-12-13-7-6-8-14(31)16(13)21(32)17-15(12)22(33)19-20(29(2)3)23(34)18(25(36)27(19,38)24(17)35)26(37)28-11-30-9-4-5-10-30/h6-8,12,15,19-20,22,31,33-35,38H,4-5,9-11H2,1-3H3,(H,28,37)/t12-,15+,19+,20-,22-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H33N3O8
Molecular Weight	527.5662
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:34:18 GMT 2023` Edited by `admin` on `Fri Dec 15 15:34:18 GMT 2023`
Record UNII	3JY87D661P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRROLIDINOMETHYLDOXYCYCLINE

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-N-(1-PYRROLIDINYLMETHYL)-, (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.ALPHA.,12A.ALPHA.))-

Common Name

English

Code System Code Type Description

CAS

27639-12-9

Created by admin on Fri Dec 15 15:34:18 GMT 2023 , Edited by admin on Fri Dec 15 15:34:18 GMT 2023

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PUBCHEM

72941536

Created by admin on Fri Dec 15 15:34:18 GMT 2023 , Edited by admin on Fri Dec 15 15:34:18 GMT 2023

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FDA UNII