L-742728

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H35N4O6.Cl
Molecular Weight	607.097
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C([O-])=O)C3=CC=C4C(=O)C5=CC(C[N+]67CC[N+](CC(N)=O)(CC6)CC7)=CC=C5C4=C3

InChI

InChIKey=LKKUUWNEQCXTNI-BLNZHTMDSA-N

InChI=1S/C32H34N4O6.ClH/c1-17-26(29(32(41)42)34-28(17)27(18(2)37)31(34)40)20-4-6-22-23(14-20)21-5-3-19(13-24(21)30(22)39)15-35-7-10-36(11-8-35,12-9-35)16-25(33)38;/h3-6,13-14,17-18,27-28,37H,7-12,15-16H2,1-2H3,(H-2,33,38,41,42);1H/t17-,18+,27+,28+,35?,36?;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C32H34N4O6
Molecular Weight	570.6356
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:03:47 GMT 2025` Edited by `admin` on `Mon Mar 31 18:03:47 GMT 2025`
Record UNII	0V3CPA653N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-742728

Code

English

1,4-DIAZONIABICYCLO(2.2.2)OCTANE, 1-(2-AMINO-2-OXOETHYL)-4-((6-(2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)-9-OXO-9H-FLUOREN-2-YL)METHYL)-, INNER SALT, CHLORIDE, (4S-(4.ALPHA.,5.BETA.,6.BETA.(S*)))-

Preferred Name

English

1-(2-AMINO-2-OXOETHYL)-4-((6-(2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)-9-OXO-9H-FLUOREN-2-YL)METHYL)-1,4-DIAZONIABICYCLO(2.2.2)OCTANE CHLORIDE,4S-(4A,5B,6B(S*))

Common Name

English

1,4-DIAZONIABICYCLO(2.2.2)OCTANE, 1-(2-AMINO-2-OXOETHYL)-4-((6-((4S,5R,6S)-2-CARBOXY-6-((1R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)-9-OXO-9H-FLUOREN-2-YL)METHYL)-, INNER SALT, CHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

9808963

Created by admin on Mon Mar 31 18:03:47 GMT 2025 , Edited by admin on Mon Mar 31 18:03:47 GMT 2025

PRIMARY

CAS

169957-63-5

Created by admin on Mon Mar 31 18:03:47 GMT 2025 , Edited by admin on Mon Mar 31 18:03:47 GMT 2025

PRIMARY

FDA UNII

0V3CPA653N

Created by admin on Mon Mar 31 18:03:47 GMT 2025 , Edited by admin on Mon Mar 31 18:03:47 GMT 2025

PRIMARY